SCHEMBL5232980

SCHEMBL5232980

CN(C)c1ccc(N2CCCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.55
CHRNB2 P17787 7/20 0.50
CHRNA4 P43681 7/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LTA4H P09960 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL4421492 0.93 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL16528268 0.91 ADRB1 (0.60) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19708518 0.83 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30408019 0.83 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL2201868 0.83 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL27363365 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL82301 0.80 ADRB1 (0.85) ADRB1CHRNB2CHRNA4HTR3EHTR3B
Hydrochloric Acid SCHEMBL27659481 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL17276864 0.79 ADRB1 (0.68) ADRB1CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL26635369 0.78 ADRB1 (0.57) ADRB1CHRNB2CHRNA4HTR3EHTR3B

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 241/4885CHRNB2 2866/4885CHRNA4 1765/4885

“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.