SCHEMBL5954731

SCHEMBL5954731

COc1cccc(-c2ccn(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
JAK2 O60674 1/20 0.39
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5386564 0.88 CHRNB2 (0.38) ALDH1A1PIK3CGCHRNB2CHRNA4SMN1; SMN2
SCHEMBL5955656 0.87 CHRNA7 (0.39) ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL5954891 0.86 CHRNB2 (0.37) MEN1KMT2ACHRNB2CHRNA4POLB
SCHEMBL5955010 0.86 KMT2A (0.43) ALDH1A1JAK2MEN1TSHRKMT2A
SCHEMBL5955699 0.85 CHRNB2 (0.34) ALDH1A1KDM4EMEN1KMT2ACHRNB2
SCHEMBL5955523 0.83 CHRNB2 (0.38) ALDH1A1JAK2PIK3CGKDM4EMEN1
SCHEMBL5954847 0.82 KMT2A (0.41) ALDH1A1JAK2KDM4EMEN1TP53
SCHEMBL5955581 0.82 CHRNA7 (0.39) PIK3CGCHRNB2CHRNA4HTR3A
SCHEMBL5375306 0.81 HTR3A (0.48) CHRNB2CHRNA4HTR3A
SCHEMBL5954750 0.80 EBP (0.36) ALDH1A1KDM4ETP53TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 426/4885JAK2 2078/4885PIK3CG 1449/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 ALDH1A1 112/4885JAK2 524/4885PIK3CG 1173/4885

“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.