SCHEMBL6302979

SCHEMBL6302979

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Sc2cnc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.57
USP30 Q70CQ3 1/20 0.36
EZH2 Q15910 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL6303003 1.00 CHRNA7 (0.57) CHRNA7USP30EZH2DRD2DRD4
SCHEMBL6310143 0.95 CHRNA7 (0.50) CHRNA7USP30EZH2DRD2DRD4
SCHEMBL6303317 0.83 CHRNA7 (0.60) CHRNA7EZH2DRD2DRD4HTR3E
SCHEMBL6303323 0.83 CHRNA7 (0.60) CHRNA7EZH2DRD2DRD4HTR3E
SCHEMBL6305026 0.82 CHRNA7 (0.58) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6881803 0.81 CHRNA7 (0.65) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6311218 0.80 CHRNA7 (0.67) CHRNA7EZH2DRD2DRD4HSP90AA1
SCHEMBL6303571 0.80 CHRNA7 (0.67) CHRNA7USP30EZH2DRD2DRD4
SCHEMBL6303576 0.80 CHRNA7 (0.67) CHRNA7USP30EZH2DRD2DRD4
SCHEMBL6311905 0.80 CHRNA7 (0.67) CHRNA7EZH2DRD2DRD4

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 2937/4885USP30 4046/4885EZH2 4701/4885

“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.