SCHEMBL6355572

SCHEMBL6355572

N#CC1(N)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
OPRM1 P35372 1/20 0.47
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
DRD2 P14416 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 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
SCHEMBL1587072 0.84 OPRM1 (0.65) ALDH1A1OPRM1SIGMAR1MEN1KMT2A
SCHEMBL2796888 0.81 OPRL1 (0.49) ALDH1A1OPRM1USP2DRD2SIGMAR1
SCHEMBL1507019 0.76 HRH3 (0.52) ALDH1A1MAPTDRD2SIGMAR1MEN1
SCHEMBL24093457 0.76 ALDH1A1 (0.44) ALDH1A1USP2MAPTDRD2SIGMAR1
SCHEMBL19567183 0.76 ALDH1A1 (0.44) ALDH1A1OPRM1USP2MAPTDRD2
SCHEMBL9542332 0.76 OPRM1 (0.55) ALDH1A1OPRM1DRD2SIGMAR1MEN1
SCHEMBL8117468 0.75 MAPT (0.67) MAPTSIGMAR1KDM4E
SCHEMBL3893581 0.75 OPRM1 (0.57) ALDH1A1OPRM1SIGMAR1MEN1KMT2A
SCHEMBL9542390 0.75 OPRM1 (0.53) ALDH1A1OPRM1USP2SIGMAR1OPRL1
SCHEMBL1147459 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787540-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-07 US claimed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP claimed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US claimed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 WO claimed
US-6858623-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-22 US disclosed
US-6787540-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-07 US disclosed
US-6720319-B2 ((1-(4-CYANO-1-(2-MORPHOLIN-4-YL-ETHYL)-PIPERIDIN-4 -YLCARBAMOYL)- 2-CYCLOHEXYL-ETHYLAMINO) -MORPHOLIN-4-YL-METHYLENE)- CARBAMIC ACID ISOBUTYL ESTER; CATHEPSINS S, K, F, L AND B; AUTOIMMUNE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACIUTICALS, INC. (US) 2003-12-18 US disclosed
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-11-20 US disclosed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP disclosed
US-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US disclosed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 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 (4 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-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 3667/4885OPRM1 3826/4885USP2 665/4885
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 3667/4885OPRM1 3826/4885USP2 665/4885
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 3667/4885OPRM1 3826/4885USP2 665/4885
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 3685/4885OPRM1 4016/4885USP2 558/4885

“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.