SCHEMBL6311008

SCHEMBL6311008

COc1ccc(Oc2ccc(C(=O)NC3CC4CCN(CC4)C3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.49
GPR183 P32249 1/20 0.44
HPGDS O60760 2/20 0.43
NAAA Q02083 1/20 0.43
USP30 Q70CQ3 2/20 0.42
PAK1 Q13153 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
BTK Q06187 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL6307461 0.95 CHRNA7 (0.56) CHRNA7GPR183HPGDSNAAAUSP30
SCHEMBL6307465 0.95 CHRNA7 (0.56) CHRNA7GPR183HPGDSNAAAUSP30
SCHEMBL6303268 0.88 CHRNA7 (0.51) CHRNA7NAAAUSP30PAK1KMT2A
SCHEMBL6303201 0.87 CHRNA7 (0.57) CHRNA7NAAAUSP30MEN1KMT2A
SCHEMBL6303223 0.86 CHRNA7 (0.58) CHRNA7NAAAUSP30MMP2MMP13
SCHEMBL6880712 0.84 CHRNA7 (0.55) CHRNA7MEN1KMT2A
SCHEMBL6304488 0.84 CHRNA7 (0.60) CHRNA7HPGDSMEN1KMT2AMMP2
SCHEMBL6310744 0.83 CHRNA7 (0.48) CHRNA7HPGDSUSP30FAAH
SCHEMBL6304901 0.82 CHRNA7 (0.57) CHRNA7NAAAUSP30MMP2MMP12
SCHEMBL6305790 0.82 CHRNA7 (0.58) CHRNA7NAAAUSP30PAK1KMT2A

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 2937/4885GPR183 1237/4885HPGDS 885/4885

“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.