SCHEMBL6310541

SCHEMBL6310541

O=C(NC1CC2CCN(CC2)C1)c1ccc(Oc2ccc(Cl)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.57
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
USP30 Q70CQ3 2/20 0.41
MMP13 P45452 6/20 0.38
MMP2 P08253 5/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP12 P39900 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL6310806 0.95 CHRNA7 (0.65) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310799 0.95 CHRNA7 (0.65) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310839 0.87 CHRNA7 (0.51) CHRNA7USP30MMP13MMP2ALDH1A1
SCHEMBL6303209 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303630 0.85 CHRNA7 (0.48) CHRNA7USP30MMP13ALDH1A1
SCHEMBL6309895 0.84 CHRNA7 (0.75) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6881185 0.84 CHRNA7 (0.63) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305443 0.83 CHRNA7 (0.57) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310249 0.82 CHRNA7 (0.58) CHRNA7USP30MMP13MMP2ALDH1A1
SCHEMBL6305653 0.82 CHRNA7 (0.58) CHRNA7USP30MMP13MMP2ALDH1A1

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-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
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 2937/4885HTR3E 1662/4885HTR3B 1018/4885

“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.