SCHEMBL6946306

SCHEMBL6946306

Cc1cc(OC(F)(F)F)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.47
PGR P06401 1/20 0.43
GPR3 P46089 2/20 0.41
ACACB O00763 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
TRPA1 O75762 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
DHODH Q02127 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
SCHEMBL16609826 0.86 AR (0.43) ARPGRGPR3ACACBTRPA1
SCHEMBL28364202 0.80 TRPV4 (0.48) ARPGRGPR3ACACBTRPA1
SCHEMBL16955309 0.79 GPR3 (0.41) ARPGRGPR3ACACBTRPA1
SCHEMBL8148156 0.79 AR (0.43) ARPGRGPR3ACACBTRPA1
SCHEMBL967100 0.79 AR (0.49) ARPGRGPR3MRGPRX4TRPA1
SCHEMBL23831366 0.79 SCN5A (0.41) ARPGRGPR3ACACBTRPA1
SCHEMBL18621197 0.79 AR (0.45) ARMRGPRX4
SCHEMBL16961773 0.78 ACACB (0.44) ARPGRGPR3ACACBTRPA1
SCHEMBL17125203 0.78 AR (0.49) ARPGRGPR3ACACBTRPA1
SCHEMBL16955335 0.77 ACACB (0.40) ARPGRGPR3ACACBTRPA1

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-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
EP-2906542-B1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2014059232-A2 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
EP-1178802-A4 CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS MERCK & CO INC (US) 2003-06-04 EP disclosed
US-6376530-B1 A N-METHYLASPARTIC ACID ANTAGONIST; NERVOUS SYSTEM DISORDERS, ANALGESICS MERCK & CO., INC. 2002-04-23 US disclosed
EP-1178802-A1 CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-02-13 EP disclosed
WO-2000067755-A1 CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS MERCK & CO., INC. (US) 2000-11-16 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-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 AR 1888/4885PGR 2323/4885GPR3 2866/4885
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 AR 184/4885PGR 650/4885GPR3 22/4885

“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.