SCHEMBL5102001

SCHEMBL5102001

CN1CCC(=O)Nc2ccc(Cl)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.55
CMA1 P23946 1/20 0.44
SRD5A1 P18405 2/20 0.40
PKM P14618 2/20 0.40
PGR P06401 1/20 0.40
ATM Q13315 1/20 0.40
BRD4 O60885 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ROCK2 O75116 1/20 0.38
AKR1C3 P42330 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5107807 0.86 AHR (0.60) AHRCMA1PGRATMBRD4
SCHEMBL5108391 0.82 AHR (0.41) AHRMAOAMAOBALDH1A1LMNA
SCHEMBL5740932 0.79 AHR (0.55) AHRCMA1ATMMAOAMAOB
SCHEMBL13617866 0.78 NPC1 (0.58) AHRBRD4CRBNMAOAMAOB
SCHEMBL1764573 0.77 AHR (0.70) AHRCMA1SRD5A1PKMPGR
SCHEMBL2625798 0.76 MAOA (0.55) MAOAMAOB
SCHEMBL29991420 0.76 MAOA (0.55) MAOAMAOB
SCHEMBL30435230 0.74 AHR (0.66) AHRCMA1SRD5A1PKMPGR
SCHEMBL7492910 0.74 AHR (0.66) AHRCMA1SRD5A1PKMPGR
SCHEMBL6883015 0.74 MAOA (0.59) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 EP disclosed
US-7119088-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-20060194794-A1 Triazole compounds useful in therapy PFIZER INC 2006-08-31 US disclosed
EP-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 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 (2 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-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 AHR 230/4885CMA1 1141/4885SRD5A1 529/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 AHR 398/4885CMA1 1925/4885SRD5A1 37/4885

“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.