SCHEMBL10192534

SCHEMBL10192534

CC1(C)CCC(N)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
OPRL1 P41146 3/20 0.45
HTR2A P28223 2/20 0.40
KDM4C Q9H3R0 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL16543135 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL30337114 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HTR2A
Hydrochloric Acid SCHEMBL16536511 0.98 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1HTR2A
Hydrochloric Acid SCHEMBL3583361 0.98 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL193611 0.80 HTR2A (0.41) HTR2A
SCHEMBL29809193 0.80 HTR2A (0.41) HTR2A
SCHEMBL192411 0.80 HTR2A (0.41) HTR2A
SCHEMBL15086542 0.80 HTR2A (0.41) HTR2A
Hydrochloric Acid SCHEMBL17580212 0.78 HTR2A (0.40) HTR2A
Hydrochloric Acid SCHEMBL29020177 0.78 HTR2A (0.40) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2024-03-19 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 EP disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
CN-112105350-A Inhibitors of integrin alpha 2 beta 1 and methods of use 加利福尼亚大学董事会 2020-12-18 CN disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 WO disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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 (8 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 OPRM1 966/4885OPRD1 360/4885OPRK1 1149/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 OPRM1 962/4885OPRD1 447/4885OPRK1 1317/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 OPRM1 966/4885OPRD1 360/4885OPRK1 1149/4885
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CACNA1E, KCNA1, KCNT1 OPRM1 558/4885OPRD1 523/4885OPRK1 546/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A OPRM1 747/4885OPRD1 1066/4885OPRK1 406/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 OPRM1 2024/4885OPRD1 1749/4885OPRK1 727/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 OPRM1 1399/4885OPRD1 1691/4885OPRK1 743/4885
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 OPRM1 558/4885OPRD1 523/4885OPRK1 546/4885

“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.