SCHEMBL6303153

SCHEMBL6303153

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Oc2ccc(Cl)nc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.66
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
USP30 Q70CQ3 2/20 0.43
NAAA Q02083 1/20 0.40
MMP13 P45452 2/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MMP2 P08253 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL6303155 1.00 CHRNA7 (0.66) CHRNA7KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6303223 0.95 CHRNA7 (0.58) CHRNA7KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6305794 0.88 CHRNA7 (0.58) CHRNA7USP30NAAAMMP13ST14
SCHEMBL6305790 0.88 CHRNA7 (0.58) CHRNA7USP30NAAAMMP13ST14
SCHEMBL6303394 0.88 CHRNA7 (0.86) CHRNA7USP30MMP2HTR3EHTR3B
SCHEMBL6303396 0.88 CHRNA7 (0.86) CHRNA7USP30MMP2HTR3EHTR3B
SCHEMBL6307465 0.87 CHRNA7 (0.56) CHRNA7USP30NAAAMMP13MMP2
SCHEMBL6307461 0.87 CHRNA7 (0.56) CHRNA7USP30NAAAMMP13MMP2
SCHEMBL6310490 0.87 CHRNA7 (0.62) CHRNA7USP30MMP13MMP2HTR3E
SCHEMBL6310498 0.87 CHRNA7 (0.62) CHRNA7USP30MMP13MMP2HTR3E

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-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885KCNQ3 1751/4885KCNQ2 1391/4885

“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.