SCHEMBL6311620

SCHEMBL6311620

O=C(NC1CC2CCN(CC2)C1)c1ccc(Sc2cccc(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.60
MGLL Q99685 2/20 0.46
GRM5 P41594 7/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EZH2 Q15910 1/20 0.42

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
SCHEMBL6303759 0.95 CHRNA7 (0.68) CHRNA7MGLLGRM5HTR3EHTR3B
SCHEMBL6303751 0.95 CHRNA7 (0.68) CHRNA7MGLLGRM5HTR3EHTR3B
SCHEMBL6310327 0.89 CHRNA7 (0.75) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6303434 0.88 CHRNA7 (0.55) CHRNA7MGLLEZH2
SCHEMBL6305169 0.88 CHRNA7 (0.68) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6310460 0.87 CHRNA7 (0.54) CHRNA7MGLLHTR3EHTR3BALOX15
SCHEMBL6305755 0.86 CHRNA7 (0.53) CHRNA7MGLLEZH2
SCHEMBL6303801 0.86 CHRNA7 (0.53) CHRNA7MGLLHTR3EHTR3BALOX15
SCHEMBL6306498 0.85 CHRNA7 (0.51) CHRNA7MGLLGRM5TSHREZH2
SCHEMBL373042 0.84 CHRNA7 (0.77) 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 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
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 2937/4885MGLL 3254/4885GRM5 1429/4885

“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.