SCHEMBL16163202

SCHEMBL16163202

N[C@@H]1CNCC[C@@H]1c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
RPS6KB1 P23443 1/20 0.43
HTR6 P50406 1/20 0.43
AKT1 P31749 11/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL16163201 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BRPS6KB1HTR6
SCHEMBL15054204 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BRPS6KB1HTR6
SCHEMBL15054203 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BRPS6KB1HTR6
SCHEMBL15054201 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BRPS6KB1HTR6
Acetic Acid SCHEMBL27904802 0.91 RPS6KB1 (0.46) RPS6KB1AKT1
Pivalate SCHEMBL18421815 0.87 AKT1 (0.44) RPS6KB1AKT1
SCHEMBL12498168 0.85 HTR2C (0.49) HTR2AHTR2CHTR2BTAAR1
Tert-Butyl Formate SCHEMBL18421816 0.85 AKT1 (0.40) HTR2AHTR2CHTR2BRPS6KB1HTR6
Tert-Butyl Formate SCHEMBL27904776 0.85 AKT1 (0.40) HTR2AHTR2CHTR2BRPS6KB1HTR6
SCHEMBL22958180 0.81 HTR6 (0.43) HTR2AHTR2CHTR2BRPS6KB1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
CN-104169258-A Novel heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH 2014-11-26 CN disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 HTR2A 2916/4885HTR2C 2087/4885HTR2B 2564/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 HTR2A 2971/4885HTR2C 2256/4885HTR2B 2495/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 HTR2A 2916/4885HTR2C 2248/4885HTR2B 2719/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 HTR2A 2971/4885HTR2C 2256/4885HTR2B 2495/4885

“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.