SCHEMBL4179713

SCHEMBL4179713

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 15/20 1.00
CACNB1 Q02641 15/20 1.00
CACNA1B Q00975 14/20 1.00
CACNA1C Q13936 10/20 1.00
CACNA1G O43497 6/20 1.00
CACNA1A O00555 2/20 0.97
CACNA1H O95180 1/20 0.84
GPX4 P36969 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5268519 1.00 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5266301 1.00 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
Z160 SCHEMBL4180792 0.92 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5266814 0.90 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5265070 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5266285 0.88 CACNA2D1 (0.86) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5270085 0.87 CACNA2D1 (0.77) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5264907 0.86 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5265406 0.86 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL7665618 0.85 NPC1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362021-B2 Method for increasing the bioavailability of benzhydryl piperazine containing compounds ZALICUS PHARMACEUTICALS LTD. (CA) 2013-01-29 US claimed
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-17 US claimed
EP-2019676-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-04 EP claimed
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 WO claimed
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP claimed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US disclosed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US disclosed
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 US disclosed
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-08-04 US disclosed
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION 2019-07-18 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
WO-2004089377-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040034035-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES, INC. 2004-02-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA2D1 41/4885CACNB1 14/4885CACNA1B 4/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 CACNA2D1 43/4885CACNB1 12/4885CACNA1B 2/4885
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA2D1 41/4885CACNB1 14/4885CACNA1B 4/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA2D1 43/4885CACNB1 12/4885CACNA1B 2/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 CACNA2D1 910/4885CACNB1 20/4885CACNA1B 33/4885
US-20040034035-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D CACNA2D1 30/4885CACNB1 14/4885CACNA1B 6/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA2D1 43/4885CACNB1 12/4885CACNA1B 2/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA2D1 43/4885CACNB1 12/4885CACNA1B 2/4885
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS SLC7A1, SLC10A2, SLC10A1 CACNA2D1 3029/4885CACNB1 1150/4885CACNA1B 993/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 CACNA2D1 37/4885CACNB1 11/4885CACNA1B 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.