SCHEMBL5954717

SCHEMBL5954717

COc1ccccc1-c1cnn(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
EGLN1 Q9GZT9 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
JAK3 P52333 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
HTR3A P46098 2/20 0.36
KCNH2 Q12809 1/20 0.36
TACR1 P25103 2/20 0.36
CNR1 P21554 1/20 0.35
NPY5R Q15761 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL5955661 0.88 GRIN2B (0.35) CHRNA7BRD4CREBBPCNR1
SCHEMBL5955538 0.87 CHRNB2 (0.38) CHRNA7CHRNB2CHRNA4BRD4CREBBP
SCHEMBL5955037 0.87 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4EGLN1JAK3
SCHEMBL5955655 0.85 NAMPT (0.38) CHRNA7CHRNB2CHRNA4
SCHEMBL5955556 0.84 CHRNB2 (0.41) CHRNA7CHRNB2CHRNA4BRD4CREBBP
SCHEMBL5955652 0.83 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4EGLN1JAK3
SCHEMBL5954847 0.82 KMT2A (0.41) CHRNA7CHRNB2CHRNA4EGLN1BRD4
SCHEMBL5955581 0.82 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4MRGPRX1HTR3A
SCHEMBL5955707 0.81 USP30 (0.38) CHRNA7CHRNB2CHRNA4BRD4CREBBP
SCHEMBL5368280 0.81 CHRNA7 (0.56) CHRNA7HTR3AKCNH2

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 2 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
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US 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 CHRNA7 8/4885CHRNB2 170/4885CHRNA4 85/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CHRNB2 3958/4885CHRNA4 3568/4885

“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.