SCHEMBL14812349

SCHEMBL14812349

COc1cc(CCNC(C)=O)ccc1Br

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.60
MTNR1B P49286 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
PTGS1 P23219 1/20 0.55
BLM P54132 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL3996984 0.88 SMN1; SMN2 (0.59) MTNR1AMTNR1BSMN1; SMN2CA12CA1
SCHEMBL2224069 0.86 CA12 (0.73) MTNR1AMTNR1BSMN1; SMN2CA12CA1
SCHEMBL23997386 0.85 ALDH1A1 (0.58) MTNR1AMTNR1BSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30336782 0.85 ALDH1A1 (0.58) MTNR1AMTNR1BSMN1; SMN2ALDH1A1HSD17B10
Water SCHEMBL11279885 0.85 CA12 (0.71) MTNR1AMTNR1BSMN1; SMN2CA12CA1
SCHEMBL5723848 0.84 MTNR1A (0.84) MTNR1AMTNR1BSMN1; SMN2MAPTKDM4E
SCHEMBL146690 0.82 CA1 (0.69) CA12CA1CA2CA9MAPT
SCHEMBL13076594 0.81 LMNA (0.69) SMN1; SMN2CA1CA2KDM4EALDH1A1
SCHEMBL5723908 0.81 KDM4E (0.69) MTNR1AMTNR1BSMN1; SMN2CA12CA1
SCHEMBL31467954 0.80 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR MTNR1A 74/4885MTNR1B 86/4885SMN1; SMN2 2827/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR MTNR1A 85/4885MTNR1B 93/4885SMN1; SMN2 2911/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR MTNR1A 85/4885MTNR1B 93/4885SMN1; SMN2 2911/4885

“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.