SCHEMBL5376683

SCHEMBL5376683

COc1ccc(-c2cnn(C(=O)NC3CC4CCN(CC4)C3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
NAAA Q02083 2/20 0.37
PAX8 Q06710 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNA7 P36544 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
SCHEMBL5367835 0.95 CHRNA7 (0.42) CCNA2CDK2MAPKAPK2CHRNB2CHRNA4
SCHEMBL5367840 0.95 CHRNA7 (0.42) CCNA2CDK2MAPKAPK2CHRNB2CHRNA4
SCHEMBL5380124 0.88 CHRNA7 (0.37) MCHR1NPC1RAB9ACNR1CNR2
SCHEMBL5371793 0.88 KMT2A (0.41) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL5380646 0.86 PAX8 (0.40) CHRNB2CHRNA4NPC1RAB9APAX8
SCHEMBL5376285 0.86 CHRNA7 (0.50) SMN1; SMN2NPC1RAB9ACNR1CNR2
SCHEMBL5376681 0.86 CHRNA7 (0.39) USP30CHRNA7
SCHEMBL5380126 0.84 ALDH1A1 (0.42) ALDH1A1CHRNA7
SCHEMBL5369889 0.84 CHRNA7 (0.42) MCHR1NPC1RAB9AUSP30CHRNA7
SCHEMBL5380392 0.83 CHRNA7 (0.43) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A

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 6 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
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US 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 CCNA2 3183/4885CDK2 1831/4885MAPKAPK2 3640/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CCNA2 1509/4885CDK2 545/4885MAPKAPK2 4429/4885

“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.