SCHEMBL5390765

SCHEMBL5390765

COc1cccc(-c2ccn(C(=O)NC3CC4CCN(CC4)C3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
PAX8 Q06710 3/20 0.39
JAK2 O60674 1/20 0.39
NAAA Q02083 1/20 0.39
PIK3CG P48736 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CHRNA7 P36544 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
SCHEMBL5367863 0.95 CHRNA7 (0.43) CHRNB2CHRNA4HTR3ANPC1RAB9A
SCHEMBL5367866 0.95 CHRNA7 (0.43) CHRNB2CHRNA4HTR3ANPC1RAB9A
SCHEMBL5368350 0.88 MAPT (0.39) CHRNB2CHRNA4NPC1RAB9AKMT2A
SCHEMBL5368598 0.87 CHRNA7 (0.43) KMT2AALDH1A1CHRNA7
SCHEMBL5375306 0.85 HTR3A (0.48) CHRNB2CHRNA4HTR3ACHRNA7
SCHEMBL5373397 0.85 CHRNA7 (0.43) NPC1RAB9AKMT2ATSHRJAK2
SCHEMBL5376300 0.85 DRD2 (0.41) CHRNB2CHRNA4PAX8CHRNA7
SCHEMBL5368240 0.84 CHRNA7 (0.41) HTR3ANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5376975 0.82 CHRNA7 (0.43) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL5376969 0.82 CHRNA7 (0.43) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US claimed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO claimed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CHRNB2 170/4885CHRNA4 85/4885HTR3A 791/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNB2 3958/4885CHRNA4 3568/4885HTR3A 2651/4885

“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.