SCHEMBL3944970

SCHEMBL3944970

CC(N)(CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP3A4 P08684 3/20 0.51
MAPT P10636 2/20 0.51
AHR P35869 1/20 0.51
GPR84 Q9NQS5 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR2A P28223 5/20 0.50
HTR6 P50406 3/20 0.50
HTR2C P28335 3/20 0.50
HTR1A P08908 3/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR7 P34969 2/20 0.50
CYP2D6 P10635 2/20 0.50
HTR2B P41595 2/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL16366298 0.86 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11821215 0.86 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL4100216 0.83 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL27452680 0.83 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL30354035 0.83 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11818699 0.83 HTR2A (0.50) MEN1KMT2ACYP3A4MAPTAHR
Hydrochloric Acid SCHEMBL27797436 0.82 PMP22 (0.57) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL17266480 0.81 ALDH1A1 (0.48) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL3936788 0.80 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL22879441 0.80 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO claimed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP claimed
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
EP-2763986-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2017-06-07 EP disclosed
EP-2763986-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2017-06-07 EP disclosed
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 US disclosed
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 US disclosed
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 US disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 US disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
EP-2763986-A1 FSH RECEPTOR ANTAGONISTS Merck Sharp & Dohme B.V. (NL) 2014-08-13 EP disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 WO disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 WO disclosed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 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 (4 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-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR MEN1 182/4885KMT2A 931/4885CYP3A4 3553/4885
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MEN1 260/4885KMT2A 1156/4885CYP3A4 1934/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR MEN1 148/4885KMT2A 920/4885CYP3A4 4001/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR MEN1 148/4885KMT2A 920/4885CYP3A4 4001/4885

“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.