SCHEMBL6310569

SCHEMBL6310569

COc1cnc(Sc2ccc(C(=O)NC3CC4CCN(CC4)C3)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.46
BTK Q06187 1/20 0.36
PAK1 Q13153 1/20 0.35
HPGDS O60760 2/20 0.35
TTK P33981 1/20 0.35
MMP2 P08253 3/20 0.34
USP30 Q70CQ3 2/20 0.34
ANPEP P15144 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
EZH2 Q15910 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
SCHEMBL6304479 0.95 CHRNA7 (0.53) CHRNA7BTKPAK1HPGDSTTK
SCHEMBL6304476 0.95 CHRNA7 (0.53) CHRNA7BTKPAK1HPGDSTTK
SCHEMBL6882107 0.86 CHRNA7 (0.60) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305702 0.85 CHRNA7 (0.54) CHRNA7MMP2USP30HTR3EHTR3B
SCHEMBL6305719 0.84 CHRNA7 (0.47) CHRNA7PAK1HPGDS
SCHEMBL6311071 0.83 CHRNA7 (0.53) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305945 0.81 CHRNA7 (0.61) CHRNA7MMP2USP30HTR3EHTR3B
SCHEMBL6305943 0.81 CHRNA7 (0.61) CHRNA7MMP2USP30HTR3EHTR3B
SCHEMBL6444050 0.81 CHRNA7 (0.48) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6306964 0.81 CHRNA7 (0.54) CHRNA7MMP2

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
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 2937/4885BTK 1742/4885PAK1 2909/4885

“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.