SCHEMBL18358263

SCHEMBL18358263

COC(=O)C(N)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 12/20 0.53
CFTR P13569 1/20 0.46
GPR139 Q6DWJ6 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL20811536 0.86 PDE2A (0.55) PDE2AGAANPSR1CYP1A2CYP2C9
SCHEMBL29453116 0.86 PDE2A (0.55) PDE2AGAANPSR1CYP1A2CYP2C9
SCHEMBL18358271 0.84 PDE2A (0.55) PDE2ACFTRMAPK1CYP1A2CYP2C9
SCHEMBL18097879 0.82 PDE2A (0.53) PDE2ACFTRGPR139GAANPSR1
SCHEMBL15670693 0.81 CES2 (0.45) GAACYP1A2CYP2C19IDO1
SCHEMBL20791346 0.81 PDE2A (0.54) PDE2AGAACYP1A2IDO1
SCHEMBL30525047 0.81 PDE2A (0.54) PDE2AGAACYP1A2IDO1
SCHEMBL30697596 0.80 MEN1 (0.38) CYP1A2
Hydrochloric Acid SCHEMBL28334116 0.80 CES2 (0.44) GAACYP1A2CYP2C19IDO1
SCHEMBL18358413 0.80 PDE2A (0.48) PDE2AGPR139

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-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
WO-2017003894-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
WO-2017000277-A1 SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D PDE2A 1/4885CFTR 2849/4885GPR139 1009/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D PDE2A 1/4885CFTR 2849/4885GPR139 1009/4885

“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.