SCHEMBL16007944

SCHEMBL16007944

CC(C)(C)[Si](C)(C)OCC(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
TACR1 P25103 2/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
HTR6 P50406 1/20 0.55
SLC6A3 Q01959 1/20 0.55
AKT1 P31749 11/20 0.49
AKT2 P31751 2/20 0.47
PRKCD Q05655 2/20 0.47
AKT3 Q9Y243 2/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL14811516 1.00 HTR2A (0.59) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL19412146 0.84 HTR2A (0.55) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL19412147 0.84 HTR2A (0.55) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL30354011 0.84 HTR2A (0.55) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL21292958 0.80 HTR2A (0.70) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL21292957 0.80 HTR2A (0.70) HTR2ATACR1ADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4632780 0.79 HTR2A (0.68) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL20430493 0.78 HTR2A (0.71) HTR2ATACR1ADRB1HTR1AADRA2A
SCHEMBL7902192 0.78 HTR2A (0.50) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL20763847 0.77 HTR2A (0.70) HTR2ATACR1ADRB1HTR1AADRA2A

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-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-2855431-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2016-07-06 EP 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-9044463-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-06-02 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
US-20140256725-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-09-11 US 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 HTR2A 1656/4885TACR1 41/4885ADRB1 178/4885
US-20140256725-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR HTR2A 1655/4885TACR1 36/4885ADRB1 178/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR HTR2A 1655/4885TACR1 36/4885ADRB1 178/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR HTR2A 1655/4885TACR1 36/4885ADRB1 178/4885

“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.