SCHEMBL244435

SCHEMBL244435

COc1cc(Br)c(CCN)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.76
TAAR1 Q96RJ0 6/20 0.76
HTR2C P28335 4/20 0.76
HTR2B P41595 2/20 0.50
ADRA1A P35348 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5809547 0.86 HTR2A (1.00) HTR2ATAAR1HTR2CHTR2B
SCHEMBL29351348 0.86 HTR2A (1.00) HTR2ATAAR1HTR2CHTR2B
SCHEMBL23478 0.86 HTR2A (1.00) HTR2ATAAR1HTR2CHTR2B
SCHEMBL5351939 0.85 TAAR1 (0.62) HTR2ATAAR1HTR2CADRA1A
Hydrochloric Acid SCHEMBL25285317 0.85 HTR2A (0.96) HTR2ATAAR1HTR2CHTR2B
Hydrochloric Acid SCHEMBL22614747 0.85 HTR2A (0.96) HTR2ATAAR1HTR2CHTR2B
Methane SCHEMBL20703126 0.85 HTR2A (0.96) HTR2ATAAR1HTR2CHTR2B
SCHEMBL24959990 0.83 HTR2A (0.68) HTR2ATAAR1HTR2CHTR2BADRA1A
SCHEMBL3469319 0.82 HMGCR (0.60) HTR2ATAAR1HTR2CSMN1; SMN2
SCHEMBL27795529 0.82 HTR2A (0.52) HTR2ATAAR1HTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284736-B1 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2021-03-03 EP disclosed
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
EP-3284736-A1 FLUORINATION OF AROMATIC RING SYSTEMS NUtech Ventures (US) 2018-02-21 EP 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
EP-2537826-B1 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2017-03-08 EP disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 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-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 US disclosed
EP-0938676-A1 COMBINATORIAL PROCESS FOR PREPARING THIAZOLIDINONE LIBRARIES ELI LILLY AND COMPANY (US) 1999-09-01 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1999002990-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED SUBSTITUTED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-01-21 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998027087-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed
WO-1998021584-A1 COMBINATORIAL PROCESS FOR PREPARING THIAZOLIDINONE LIBRARIES ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
EP-0818431-A1 Scavenger assisted combinatorial process for preparing libaries of secondary amine compounds ELI LILLY AND COMPANY (US) 1998-01-14 EP disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 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 (2 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-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR HTR2A 1655/4885TAAR1 1131/4885HTR2C 2018/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR HTR2A 1655/4885TAAR1 1131/4885HTR2C 2018/4885

“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.