SCHEMBL4240337

SCHEMBL4240337

CC(C)(C)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
SCN8A Q9UQD0 1/20 0.52
THRB P10828 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
LMNA P02545 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
EGFR P00533 1/20 0.49
MLYCD O95822 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL13958859 0.86 MAPK14 (0.49) IDO1SCN8ATHRBLMNAMEN1
SCHEMBL22621604 0.85 BCHE (0.46) SCN8ATHRBHDAC2
SCHEMBL15432467 0.83 TAAR1 (0.57) IDO1HTR2AHTR2BHTR2CTAAR1
SCHEMBL13959205 0.83 CYP19A1 (0.66) LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL14433569 0.82 PRMT6 (0.42) LMNAMAPTKMT2ACYP1A2CYP3A4
SCHEMBL29988585 0.81 MRGPRX4 (0.57) IDO1HTR2AHTR2BHTR2CSCN8A
SCHEMBL42728 0.81 MRGPRX4 (0.57) IDO1HTR2AHTR2BHTR2CSCN8A
Ammonia Solution, Strong SCHEMBL28048257 0.81 TAAR1 (0.56) IDO1HTR2AHTR2BHTR2CTAAR1
SCHEMBL541044 0.81 TAAR1 (0.58) IDO1HTR2AHTR2BHTR2CSCN8A
SCHEMBL4239980 0.81 DPP7 (0.59) IDO1HTR2AHTR2BHTR2CSCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAYZME PHARMACEUTICALS LTD. (CA) 2009-05-28 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 IDO1 154/4885HTR2A 1642/4885HTR2B 1451/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH IDO1 1757/4885HTR2A 26/4885HTR2B 46/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 IDO1 1040/4885HTR2A 2314/4885HTR2B 2906/4885
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE CYP2A6, CYP2B6, CYP2D6 IDO1 993/4885HTR2A 192/4885HTR2B 311/4885

“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.