SCHEMBL6305263

SCHEMBL6305263

CC1CC2CCN1CC2NC(=O)c1ccc(Oc2ccc(C(F)(F)F)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SLC6A5 Q9Y345 6/20 0.36
HDAC4 P56524 1/20 0.35
MLYCD O95822 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6303193 0.87 CHRNA7 (0.39) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310484 0.87 CHRNA7 (0.39) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6306396 0.86 CHRNA7 (0.43) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6884164 0.85 CHRNA7 (0.54) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303440 0.84 SLC6A5 (0.39) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303476 0.84 CHRNA7 (0.47) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6882089 0.83 CHRNB2 (0.39) CHRNA7SLC6A5
SCHEMBL6310459 0.82 CHRNA7 (0.37) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310276 0.81 KMT2A (0.44) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6305859 0.81 CHRNA7 (0.39) CHRNA7HTR3EHTR3BALOX15TSHR

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 2937/4885HTR3E 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.