SCHEMBL4237909

SCHEMBL4237909

CCCCN1CCC(Oc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
ESR1 P03372 10/20 0.49
AGTR2 P50052 1/20 0.47
SSTR5 P35346 1/20 0.47
SRD5A1 P18405 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ESR2 Q92731 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SRD5A2 P31213 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 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
SCHEMBL4232026 0.92 SSTR5 (0.53) SSTR5SRD5A1HRH3MAOAMAOB
SCHEMBL20165122 0.88 ESR1 (0.61) CHRM2CHRM3ESR1AGTR2ESR2
SCHEMBL20165868 0.88 ESR1 (0.61) CHRM2CHRM3ESR1AGTR2ESR2
Hydrochloric Acid SCHEMBL29756830 0.86 ESR1 (0.60) CHRM2CHRM3ESR1AGTR2ESR2
SCHEMBL16579434 0.84 CHRM2 (0.58) CHRM2CHRM3HRH3
SCHEMBL4240622 0.83 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL24022096 0.83 MAOA (0.50) CHRM2CHRM3ESR1HRH3MAOA
SCHEMBL25933641 0.81 HRH3 (0.61) SSTR5SRD5A1HRH3LMNAALDH1A1
SCHEMBL22664149 0.81 ALDH1A1 (0.55) CHRM3SRD5A1HRH3LMNAALDH1A1
SCHEMBL17869370 0.81 ALDH1A1 (0.55) CHRM3SRD5A1HRH3LMNAALDH1A1

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO 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 CHRM2 120/4885CHRM3 168/4885ESR1 1139/4885

“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.