SCHEMBL4289692

SCHEMBL4289692

O=C(OCc1ccccc1)N1C(=O)N(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C2CC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.43
CACNA1F O60840 6/20 0.43
DRD4 P21917 6/20 0.43
HRH2 P25021 6/20 0.43
HTR2A P28223 6/20 0.43
ADRA1A P35348 6/20 0.43
HRH1 P35367 6/20 0.43
OPRM1 P35372 6/20 0.43
DRD3 P35462 6/20 0.43
HTR6 P50406 6/20 0.43
CACNA1D Q01668 6/20 0.43
CACNA1S Q13698 6/20 0.43
CACNA1C Q13936 6/20 0.43
DRD5 P21918 5/20 0.43
ADRA1D P25100 5/20 0.43
HTR7 P34969 5/20 0.43
ADRA1B P35368 5/20 0.43
OPRK1 P41145 5/20 0.43
HTR1A P08908 5/20 0.43
ADORA3 P0DMS8 5/20 0.43

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
SCHEMBL8236341 1.00 SLC6A3 (0.43) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL13780831 0.93 AGTR2 (0.40) HTR2CRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14299751 0.85 SLC6A3 (0.42) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL4289800 0.75 CYP3A4 (0.43) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL4281572 0.71 MEN1 (0.42) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL8233262 0.71 MEN1 (0.42) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL7264075 0.66 ACE (0.53) HTR2CRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4291616 0.66 CYP3A4 (0.43) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL13780832 0.66 CYP3A4 (0.43) SLC6A3CACNA1FDRD4HRH2HTR2A
SCHEMBL7264101 0.66 ACE (0.53) HTR2CRAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354434-B2 Cyclourea compounds as calcium channel blockers PURDUE PHARMA L.P. (US) 2013-01-15 US claimed
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US claimed
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 EP claimed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 WO 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-8354434-B2 Cyclourea compounds as calcium channel blockers PURDUE PHARMA L.P. (US) 2013-01-15 US disclosed
US-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2012-12-20 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
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 US disclosed
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US disclosed
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 EP disclosed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 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 (9 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-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D SLC6A3 640/4885CACNA1F 10/4885DRD4 1009/4885
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A3 1036/4885CACNA1F 6/4885DRD4 2680/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 SLC6A3 1036/4885CACNA1F 6/4885DRD4 2680/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A3 1036/4885CACNA1F 6/4885DRD4 2680/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D SLC6A3 640/4885CACNA1F 10/4885DRD4 1009/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 SLC6A3 586/4885CACNA1F 82/4885DRD4 2125/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A3 1036/4885CACNA1F 6/4885DRD4 2680/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A3 1036/4885CACNA1F 6/4885DRD4 2680/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 SLC6A3 1023/4885CACNA1F 6/4885DRD4 2650/4885

“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.