SCHEMBL6311528

SCHEMBL6311528

O=C(NC1CC2CC1CN2)c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
EZH2 Q15910 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
F10 P00742 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6303374 0.90 CHRNA7 (0.56) CHRNA7EZH2ALDH1A1RAB9ATDP1
SCHEMBL6310161 0.90 CHRNA7 (0.44) CHRNA7TRPV1EZH2RAB9AF10
SCHEMBL6310723 0.89 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6311196 0.88 CHRNA7 (0.46) CHRNA7EZH2RAB9ATDP1MEN1
SCHEMBL6305855 0.88 HPGD (0.46) CHRNA7EZH2ALDH1A1TDP1KDM4E
SCHEMBL6306561 0.88 CHRNA7 (0.46) CHRNA7TSHREZH2TDP1MEN1
SCHEMBL6310896 0.88 CHRNB2 (0.43) CHRNA7EZH2ALDH1A1RAB9AL3MBTL1
SCHEMBL6303291 0.86 CHRNA7 (0.42) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6304573 0.85 MMP2 (0.47) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6304749 0.85 CHRNA7 (0.43) CHRNA7EZH2ALDH1A1RAB9AF10

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
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 2937/4885HTR3E 1662/4885HTR3B 1018/4885

“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.