SCHEMBL5231120

SCHEMBL5231120

Cc1ccc(N2CCCNCC2)cc1C

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.86
HTR7 P34969 3/20 0.60
CHRNB2 P17787 7/20 0.50
CHRNA4 P43681 7/20 0.50
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
HTR5A P47898 1/20 0.49
HTR1A P08908 1/20 0.48
CHRNA1 P02708 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL221254 0.93 ADRB1 (1.00) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL21533600 0.87 ADRB1 (0.65) ADRB1HTR7CHRNB2CHRNA4HTR3E
SCHEMBL5206787 0.85 ADRB1 (0.63) ADRB1HTR7CHRNB2CHRNA4HTR3E
SCHEMBL5235956 0.85 ADRB1 (0.63) ADRB1HTR7CHRNB2CHRNA4HTR3E
SCHEMBL5238705 0.85 ADRB1 (0.63) ADRB1HTR7CHRNB2CHRNA4HTR3E
SCHEMBL1422991 0.83 ADRB1 (0.81) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL27642375 0.83 ADRB1 (0.81) ADRB1HTR7HTR3EHTR3BHTR3A
SCHEMBL24140572 0.83 ADRB1 (0.68) ADRB1HTR7
SCHEMBL3539353 0.83 ADRB1 (0.68) ADRB1HTR7
SCHEMBL22818466 0.83 ADRB1 (0.59) ADRB1HTR7CHRNB2CHRNA4HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ADRB1 241/4885HTR7 3237/4885CHRNB2 2866/4885

“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.