SCHEMBL3944054

SCHEMBL3944054

COC(=O)c1cc(Br)cc2c1OCCCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PGR P06401 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRK1 P41145 3/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL3943384 0.95 MAPT (0.39) MAPTNPSR1RXFP1KDM4EALDH1A1
SCHEMBL4644440 0.90 MAPT (0.49) MAPTNPSR1RXFP1KDM4EALDH1A1
SCHEMBL31306041 0.90 MAPT (0.49) MAPTNPSR1RXFP1KDM4EALDH1A1
SCHEMBL3934781 0.82 SMN1; SMN2 (0.44) MAPTNPSR1RXFP1KDM4EALDH1A1
SCHEMBL13315467 0.80 ALDH1A1 (0.47) MAPTNPSR1KDM4EALDH1A1KMT2A
SCHEMBL29150821 0.80 MAPT (0.44) MAPTNPSR1RXFP1KDM4EALDH1A1
SCHEMBL8366432 0.79 HTR3A (0.43) KDM4EALDH1A1PARP1KMT2A
SCHEMBL19124992 0.78 ACHE (0.39) MAPTKDM4EALDH1A1HTTKMT2A
SCHEMBL30995655 0.78 ACHE (0.39) MAPTKDM4EALDH1A1HTTKMT2A
SCHEMBL12284065 0.77 ALDH1A1 (0.40) KDM4EALDH1A1PARP1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO 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
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (3 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MAPT 4176/4885NPSR1 10/4885RXFP1 31/4885
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 MAPT 3935/4885NPSR1 19/4885RXFP1 76/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 MAPT 4680/4885NPSR1 153/4885RXFP1 586/4885

“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.