SCHEMBL5368678

SCHEMBL5368678

Cc1ccc(-c2cnn(C(=O)NC3CC4CCN(C4)C3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.44
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP30 Q70CQ3 3/20 0.35
ROCK2 O75116 1/20 0.34
KIT P10721 1/20 0.34
MCHR1 Q99705 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRIN2B Q13224 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5368669 1.00 CHRNA7 (0.44) CHRNA7NPC1RAB9AUSP30ROCK2
SCHEMBL5380124 0.94 CHRNA7 (0.37) CHRNA7NPC1RAB9AUSP30ROCK2
SCHEMBL5382095 0.89 CHRNA7 (0.44) CHRNA7USP30MCHR1GRIN2B
SCHEMBL5368276 0.89 CHRNA7 (0.58) CHRNA7USP30KITCNR1CNR2
SCHEMBL5368281 0.89 CHRNA7 (0.58) CHRNA7USP30KITCNR1CNR2
SCHEMBL5382100 0.89 CHRNA7 (0.44) CHRNA7USP30MCHR1GRIN2B
SCHEMBL5373089 0.89 CHRNA7 (0.46) CHRNA7NPC1RAB9AUSP30MEN1
SCHEMBL5373093 0.89 CHRNA7 (0.46) CHRNA7NPC1RAB9AUSP30MEN1
SCHEMBL5367835 0.89 CHRNA7 (0.42) CHRNA7MCHR1
SCHEMBL5367840 0.89 CHRNA7 (0.42) CHRNA7MCHR1

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 CHRNA7 8/4885NPC1 866/4885RAB9A 1128/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885NPC1 518/4885RAB9A 1460/4885

“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.