SCHEMBL5098041

SCHEMBL5098041

Nc1cc(F)c(F)cc1COCc1nnc(C2CCN(c3ccccn3)CC2)o1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
AVPR1A P37288 15/20 0.40
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5108606 0.91 DPP4 (0.46) DPP4DPP8DPP9DPP7AVPR1A
SCHEMBL5108316 0.89 AVPR1A (0.42) AVPR1A
SCHEMBL5102064 0.88 AVPR1A (0.46) AVPR1AACHEBACE1ALDH1A1
SCHEMBL5107892 0.87 AVPR1A (0.46) AVPR1A
SCHEMBL5108481 0.86 AVPR1A (0.47) AVPR1A
SCHEMBL5101589 0.86 AVPR1A (0.47) AVPR1AALDH1A1L3MBTL1
SCHEMBL5102028 0.85 BCHE (0.43) DPP4DPP8DPP9DPP7AVPR1A
SCHEMBL5108341 0.84 AVPR1A (0.40) AVPR1A
SCHEMBL5213300 0.82 AVPR1A (0.53) AVPR1AMAPTNPC1ALDH1A1RAB9A
SCHEMBL5108526 0.81 AVPR1A (0.44) AVPR1A

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 11 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 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-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
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 DPP4 579/4885DPP8 1200/4885DPP9 511/4885
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 DPP4 4491/4885DPP8 4398/4885DPP9 4762/4885

“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.