SCHEMBL6310474

SCHEMBL6310474

O=C(NC1CC2CC1CN2)c1ccc(Sc2ccc(C(F)(F)F)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
PANK3 Q9H999 1/20 0.34
CCR2 P41597 9/20 0.34
EZH2 Q15910 1/20 0.33
CCR3 P51677 1/20 0.33
MLYCD O95822 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ADRB2 P07550 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
GLP1R P43220 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30

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
SCHEMBL6311170 0.85 F10 (0.40) CHRNA7EZH2
SCHEMBL6303479 0.85 CHRNA7 (0.39) CHRNA7PANK3EZH2TDP1
SCHEMBL7125381 0.82 CHRNA7 (0.35) CHRNA7PANK3CCR2EZH2CCR3
SCHEMBL6306741 0.82 PANK3 (0.34) CHRNA7PANK3CCR2EZH2CCR3
SCHEMBL6306749 0.80 CHRNA7 (0.40) CHRNA7PANK3EZH2
SCHEMBL6310138 0.80 MMP2 (0.36) EZH2
SCHEMBL6303374 0.79 CHRNA7 (0.56) CHRNA7EZH2TDP1
SCHEMBL6310723 0.78 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6311304 0.78 CHRNA7 (0.38) CHRNA7PANK3EZH2
SCHEMBL6311528 0.77 CHRNA7 (0.46) CHRNA7EZH2TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2937/4885PANK3 2620/4885CCR2 1496/4885

“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.