SCHEMBL4901979

SCHEMBL4901979

CC(C)CN1CCC[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
ACE P12821 6/20 0.37
REN P00797 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
PEPD P12955 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL18878678 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL18875724 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL18875644 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL7022185 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL18875725 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL18875713 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL18875546 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL18875527 1.00 F2 (0.41) F2CNR1CNR2RAB9APOLB
SCHEMBL4597804 0.95 CNR1 (0.46) F2CNR1CNR2RAB9APOLB
SCHEMBL4813682 0.95 CNR1 (0.46) F2CNR1CNR2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP claimed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-20200407338-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-12-31 US disclosed
US-10730866-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2020-08-04 US disclosed
US-10005768-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-06-26 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-20170283392-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-10-05 US disclosed
US-20170283392-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-10-05 US disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
US-6506759-B1 Method for treating HIV-related AIDS comprising administering an effective amount of a composition N-heterocyclic moiety containing hydroxyethylamine compounds are effective as retroviral protease inhibitors, and in MONSANTO COMPANY 2003-01-14 US disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
US-5446161-A Protease inhibitor, viricides HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
EP-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP 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-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 F2 1100/4885CNR1 82/4885CNR2 99/4885
US-20170283392-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF CACNA1A, CACNA1D, CACNA1S F2 955/4885CNR1 143/4885CNR2 159/4885
US-10005768-B2 Carboxamide derivatives and use thereof TRPV1, CACNA1A, SCN10A F2 3099/4885CNR1 96/4885CNR2 51/4885
US-20200407338-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF KCNQ3, KCNQ5, KCNQ4 F2 834/4885CNR1 92/4885CNR2 100/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 F2 3794/4885CNR1 4206/4885CNR2 4710/4885
US-10730866-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 F2 1100/4885CNR1 82/4885CNR2 99/4885
US-20180134690-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 F2 1571/4885CNR1 109/4885CNR2 93/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 F2 3794/4885CNR1 4206/4885CNR2 4710/4885

“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.