SCHEMBL4233973

SCHEMBL4233973

N#Cc1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.55
CACNA1H O95180 1/20 0.55
HRH3 Q9Y5N1 7/20 0.55
MCHR1 Q99705 2/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
EGLN2 Q96KS0 1/20 0.48
PKM P14618 1/20 0.48
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESRRG P62508 2/20 0.43
POLB P06746 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
SCHEMBL2181725 0.78 APAF1 (0.46) HRH3KCNH2NPSR1ESRRGPOLB
SCHEMBL10891769 0.78 CNR1 (0.59) HRH3MCHR1CHRM1HTR2AKCNH2
SCHEMBL23671492 0.78 SIGMAR1 (0.56) KDM4EALDH1A1ESRRGGAA
SCHEMBL4804050 0.78 ALDH1A1 (0.50) HRH3MCHR1ALDH1A1NPSR1ESRRG
SCHEMBL14175271 0.78 MAPT (0.55) HRH3HRH1KDM4EALDH1A1HPGD
SCHEMBL2010540 0.78 HRH3 (0.40) CACNA1BCACNA1HHRH3HRH2HRH1
SCHEMBL17120729 0.78 BACE1 (0.52) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8673780 0.78 POLB (0.59) HRH3ALDH1A1NPSR1ESRRGPOLB
SCHEMBL7049256 0.76 DPP7 (0.64) CACNA1BCACNA1HHRH3HRH2HRH1
Hydrochloric Acid SCHEMBL11093613 0.76 POLB (0.58) HRH3ALDH1A1ESRRGPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R CACNA1B 774/4885CACNA1H 1252/4885HRH3 210/4885

“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.