SCHEMBL5102009

SCHEMBL5102009

c1ccc(N2CCC(c3nnc4n3-c3ccccc3CNC4)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 1.00
AVPR2 P30518 3/20 0.57
KCNH2 Q12809 3/20 0.57

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
SCHEMBL5831118 0.91 AVPR1A (0.83) AVPR1AAVPR2KCNH2
SCHEMBL5098100 0.88 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL2565815 0.83 AVPR1A (0.71) AVPR1AAVPR2KCNH2
SCHEMBL2566714 0.83 AVPR1A (0.71) AVPR1AAVPR2KCNH2
SCHEMBL5098399 0.83 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5098204 0.82 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5101505 0.81 AVPR1A (0.84) AVPR1AAVPR2KCNH2
SCHEMBL5280459 0.80 AVPR1A (0.83) AVPR1AAVPR2KCNH2
Hydrochloric Acid SCHEMBL5098337 0.79 AVPR1A (0.81) AVPR1AAVPR2KCNH2
SCHEMBL5108510 0.79 AVPR1A (0.80) AVPR1AAVPR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP claimed
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-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP 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-20050026810-A1 Treatment of male sexual dysfunction PFIZER INC. 2005-02-03 US 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 (3 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 AVPR1A 2844/4885AVPR2 1662/4885KCNH2 1889/4885
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 AVPR1A 460/4885AVPR2 690/4885KCNH2 355/4885
US-20050026810-A1 Treatment of male sexual dysfunction AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885AVPR2 3/4885KCNH2 1043/4885

“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.