SCHEMBL2514720

SCHEMBL2514720

FC(F)(F)c1ccccc1[C@@H]1CCNC1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.81
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
NOTUM Q6P988 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
HTR1A P08908 1/20 0.49
SLC6A3 Q01959 1/20 0.49
RBP4 P02753 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46

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
SCHEMBL2509836 1.00 HTR2C (0.81) HTR2CCHRNB2CHRNA4NOTUMSLC6A2
SCHEMBL2509837 1.00 HTR2C (0.81) HTR2CCHRNB2CHRNA4NOTUMSLC6A2
Hydrochloric Acid SCHEMBL2394649 0.98 HTR2C (0.81) HTR2CCHRNB2CHRNA4NOTUMSLC6A2
Hydrochloric Acid SCHEMBL2513159 0.98 HTR2C (0.81) HTR2CCHRNB2CHRNA4NOTUMSLC6A2
SCHEMBL16455234 0.90 HTR2C (0.66) HTR2CCHRNB2CHRNA4HTR1ARBP4
SCHEMBL30228461 0.89 HTR2C (1.00) HTR2CCHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL613612 0.89 HTR2C (1.00) HTR2CCHRNB2CHRNA4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL16446229 0.89 HTR2C (0.67) HTR2CCHRNB2CHRNA4HTR1ARBP4
Hydrochloric Acid SCHEMBL30853595 0.88 HTR2C (1.00) HTR2CCHRNB2CHRNA4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL307161 0.88 HTR2C (1.00) HTR2CCHRNB2CHRNA4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 US claimed
EP-1889842-A1 HETEROCYCLIC COMPOUND Japan Tobacco, Inc. (JP) 2008-02-20 EP claimed
US-20070072908-A1 Heterocyclic compounds JAPAN TOBACCO INC. (JP) 2007-03-29 US claimed
EP-2566859-B1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-12-21 EP disclosed
US-9096571-B2 Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-08-04 US disclosed
CN-103025721-B Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO LTD 2015-06-17 CN disclosed
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-08-15 US disclosed
CN-103025721-A Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO LTD 2013-04-03 CN disclosed
EP-2566859-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Sk Chemicals Co., Ltd. (KR) 2013-03-13 EP disclosed
WO-2011139107-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO.,LTD. (KR) 2011-11-10 WO disclosed
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 US disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 US disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 US disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 US disclosed
EP-2103603-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND Japan Tobacco Inc. (JP) 2009-09-23 EP disclosed
EP-2103603-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND Japan Tobacco Inc. (JP) 2009-09-23 EP disclosed
EP-1889842-A1 HETEROCYCLIC COMPOUND Japan Tobacco, Inc. (JP) 2008-02-20 EP disclosed
US-20070072908-A1 Heterocyclic compounds JAPAN TOBACCO INC. (JP) 2007-03-29 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-20110245223-A1 HETEROCYCLIC COMPOUNDS HSD11B1, HSD11B2, CYP11B1 HTR2C 1450/4885CHRNB2 3710/4885CHRNA4 3551/4885
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, G6PC1 HTR2C 2472/4885CHRNB2 4656/4885CHRNA4 4523/4885
US-20070072908-A1 Heterocyclic compounds HSD11B1, HSD11B2, CYP11B1 HTR2C 1450/4885CHRNB2 3710/4885CHRNA4 3551/4885
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND HSD11B1, HSD11B2, HSD17B11 HTR2C 3041/4885CHRNB2 4728/4885CHRNA4 4719/4885

“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.