SCHEMBL13902867

SCHEMBL13902867

CN(CC#Cc1cc2c(c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c1)OCCCC2)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.43
TACR1 P25103 4/20 0.40
GHSR Q92847 1/20 0.39
ECE1 P42892 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CCKBR P32239 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL13962172 0.92 ALDH1A1 (0.38) ACHETACR1GHSRECE1ALDH1A1
SCHEMBL13902868 0.92 ALDH1A1 (0.38) ACHETACR1GHSRECE1ALDH1A1
SCHEMBL13902869 0.89 ALDH1A1 (0.36) ACHETACR1GHSRECE1ALDH1A1
SCHEMBL13902864 0.89 ECE1 (0.40) TACR1ECE1ALDH1A1POLBMAPT
SCHEMBL13902876 0.89 ALDH1A1 (0.36) TACR1GHSRECE1ALDH1A1POLB
SCHEMBL13962656 0.89 ALDH1A1 (0.36) TACR1GHSRECE1ALDH1A1POLB
SCHEMBL13960314 0.87 ECE1 (0.39) ECE1ALDH1A1POLBMAPTHPGD
SCHEMBL13902875 0.87 ECE1 (0.39) ECE1ALDH1A1POLBMAPTHPGD
SCHEMBL13902865 0.87 ECE1 (0.38) TACR1GHSRECE1ALDH1A1POLB
SCHEMBL13902870 0.86 ECE1 (0.40) TACR1ECE1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 ACHE 1271/4885TACR1 220/4885GHSR 82/4885

“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.