SCHEMBL6100201

SCHEMBL6100201

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Cl)c(C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.55
CNR1 P21554 3/20 0.36
F2R P25116 1/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA4 P43681 4/20 0.36
PRKAA2 P54646 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ACACB O00763 1/20 0.35
CBLB Q13191 2/20 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
SCHEMBL6100212 1.00 CHRNA7 (0.55) CHRNA7CNR1F2RCHRNB2CHRNB4
SCHEMBL6632916 1.00 CHRNA7 (0.55) CHRNA7CNR1F2RCHRNB2CHRNB4
SCHEMBL6100081 0.94 CHRNA7 (0.47) CHRNA7CNR1F2RCHRNB2CHRNB4
SCHEMBL6097101 0.88 CHRNA7 (0.53) CHRNA7F2RCHRNB2CHRNB4CHRNA3
SCHEMBL6097107 0.88 CHRNA7 (0.53) CHRNA7F2RCHRNB2CHRNB4CHRNA3
SCHEMBL6101043 0.85 CHRNA7 (0.58) CHRNA7CNR1PRKAA2
SCHEMBL6101050 0.85 CHRNA7 (0.58) CHRNA7CNR1PRKAA2
SCHEMBL6098953 0.85 CHRNA7 (0.55) CHRNA7F2RCHRNB2CHRNB4CHRNA3
SCHEMBL6098946 0.85 CHRNA7 (0.55) CHRNA7F2RCHRNB2CHRNB4CHRNA3
SCHEMBL6098653 0.84 CHRNA7 (0.59) CHRNA7CNR1PRKAA2USP30

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-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (1 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CHRNA7 1836/4885CNR1 343/4885F2R 4336/4885

“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.