SCHEMBL11932001

SCHEMBL11932001

CC(C)[C@@](C#N)(CCCN1CCN(CCCc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
EBP Q15125 2/20 0.52
CACNA1G O43497 1/20 0.48
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL21023241 1.00 SIGMAR1 (0.52) SIGMAR1EBPCACNA1GSLC6A2SLC6A4
SCHEMBL5239794 0.92 SIGMAR1 (0.60) SIGMAR1EBPCCR3
SCHEMBL6786053 0.88 SIGMAR1 (0.45) SIGMAR1EBPCACNA1GSLC6A3MC4R
SCHEMBL5237846 0.88 SIGMAR1 (0.60) SIGMAR1EBPSLC6A3MEN1KMT2A
SCHEMBL14431859 0.87 CCR3 (0.54) SIGMAR1EBPCYP2D6RAB9AKCNH2
SCHEMBL5751414 0.85 CCR1 (0.45) SIGMAR1EBPCACNA1GSLC6A4SLC6A3
SCHEMBL5751875 0.85 HTR1A (0.54) SIGMAR1CACNA1GMEN1ALDH1A1LMNA
SCHEMBL5240018 0.85 RAB9A (0.52) SIGMAR1EBPRAB9ACCR1OPRM1
SCHEMBL5749643 0.85 POLB (0.46) SIGMAR1EBPCACNA1GSLC6A4SLC6A3
SCHEMBL2866236 0.84 CACNA1B (0.52) SIGMAR1CACNA1GMEN1ALDH1A1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2995303-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2016-03-16 EP disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 US disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 US disclosed
WO-2011006073-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 WO 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 (6 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-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SIGMAR1 1477/4885EBP 2369/4885CACNA1G 9/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 SIGMAR1 1477/4885EBP 2369/4885CACNA1G 9/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 SIGMAR1 411/4885EBP 4385/4885CACNA1G 47/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SIGMAR1 1477/4885EBP 2369/4885CACNA1G 9/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SIGMAR1 1477/4885EBP 2369/4885CACNA1G 9/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 SIGMAR1 1504/4885EBP 2294/4885CACNA1G 7/4885

“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.