SCHEMBL6304476

SCHEMBL6304476

COc1cnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.53
PAK1 Q13153 1/20 0.36
BTK Q06187 1/20 0.35
HPGDS O60760 2/20 0.34
TTK P33981 1/20 0.34
MMP2 P08253 3/20 0.34
USP30 Q70CQ3 3/20 0.34
ANPEP P15144 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 1.00 CHRNA7 (0.53) CHRNA7PAK1BTKHPGDSTTK
SCHEMBL6310569 0.95 CHRNA7 (0.46) CHRNA7PAK1BTKHPGDSTTK
SCHEMBL6305943 0.86 CHRNA7 (0.61) CHRNA7MMP2USP30MEN1KMT2A
SCHEMBL6305945 0.86 CHRNA7 (0.61) CHRNA7MMP2USP30MEN1KMT2A
SCHEMBL6310713 0.84 CHRNA7 (0.53) CHRNA7PAK1HPGDSKMT2A
SCHEMBL6311071 0.84 CHRNA7 (0.53) CHRNA7MEN1KMT2A
SCHEMBL6310708 0.84 CHRNA7 (0.53) CHRNA7PAK1HPGDSKMT2A
SCHEMBL6882107 0.83 CHRNA7 (0.60) CHRNA7MEN1KMT2A
SCHEMBL6306549 0.81 CHRNA7 (0.62) CHRNA7PAK1MMP2MEN1KMT2A
SCHEMBL6306555 0.81 CHRNA7 (0.62) CHRNA7PAK1MMP2MEN1KMT2A

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 8 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
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 2937/4885PAK1 2909/4885BTK 1742/4885

“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.