SCHEMBL14120778

SCHEMBL14120778

C[C@H](N)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.66
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 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
SCHEMBL4550763 1.00 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2BIDO1
SCHEMBL29685925 1.00 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2BIDO1
SCHEMBL30557838 1.00 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2BIDO1
SCHEMBL4233776 1.00 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2BIDO1
Hydrochloric Acid SCHEMBL2715888 0.98 PDE2A (0.64) PDE2AHTR2AHTR2CHTR2BIDO1
SCHEMBL16043553 0.87 PDE2A (0.51) PDE2A
SCHEMBL16044616 0.87 PDE2A (0.51) PDE2AHTR2AHTR2CHTR2B
SCHEMBL16868139 0.85 PDE2A (0.50) PDE2AHTR2AHTR2CHTR2BIDO1
SCHEMBL20811529 0.85 PDE2A (0.67) PDE2AHTR2AHTR2CHTR2BIDO1
SCHEMBL22221342 0.85 PDE2A (0.67) PDE2AHTR2AHTR2CHTR2BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
CN-112062730-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2023-09-29 CN disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
EP-3536324-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2021-10-06 EP disclosed
CN-112062730-A 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-12-11 CN disclosed
CN-107108531-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-10-20 CN disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2020-04-30 US disclosed
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-18 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-8957093-B2 N-biphenylmethylindole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2015-02-17 US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
EP-2771337-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2014-09-03 EP disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 WO disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 WO disclosed
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 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 (10 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PDE2A 3092/4885HTR2A 4593/4885HTR2C 4292/4885
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885HTR2A 174/4885HTR2C 341/4885
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG PDE2A 1200/4885HTR2A 1084/4885HTR2C 1009/4885
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3A, IDH3B PDE2A 3316/4885HTR2A 4594/4885HTR2C 4156/4885
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885HTR2A 174/4885HTR2C 341/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD PDE2A 1531/4885HTR2A 2557/4885HTR2C 3715/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PDE2A 3092/4885HTR2A 4593/4885HTR2C 4292/4885
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885HTR2A 174/4885HTR2C 341/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD PDE2A 1531/4885HTR2A 2557/4885HTR2C 3715/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD PDE2A 1531/4885HTR2A 2557/4885HTR2C 3715/4885

“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.