SCHEMBL626371

SCHEMBL626371

NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.64
IDO1 P14902 2/20 0.54
MAOB P27338 4/20 0.53
DAO P14920 1/20 0.44
RAD52 P43351 1/20 0.42
DHODH Q02127 1/20 0.42
HTR2A P28223 2/20 0.42
CACNA1H O95180 1/20 0.41

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
Hydrochloric Acid SCHEMBL1970957 0.98 TAAR1 (0.62) TAAR1IDO1MAOBDAORAD52
SCHEMBL43792 0.87 TAAR1 (0.56) TAAR1IDO1MAOBHTR2ACACNA1H
SCHEMBL806196 0.87 TAAR1 (0.56) TAAR1IDO1MAOBHTR2ACACNA1H
SCHEMBL1587764 0.86 IDO1 (0.50) TAAR1IDO1MAOBDAORAD52
Hydrochloric Acid SCHEMBL23577777 0.86 TAAR1 (0.55) TAAR1IDO1MAOBHTR2A
Hydrochloric Acid SCHEMBL3243140 0.86 TAAR1 (0.55) TAAR1IDO1MAOBHTR2A
SCHEMBL3236622 0.86 TAAR1 (0.55) TAAR1IDO1MAOBHTR2ACACNA1H
SCHEMBL16515444 0.86 TAAR1 (0.55) TAAR1IDO1MAOBHTR2A
SCHEMBL7574477 0.85 RAD52 (0.49) TAAR1IDO1MAOBDAORAD52
Hydrochloric Acid SCHEMBL12520910 0.84 TAAR1 (0.53) TAAR1IDO1MAOBHTR2ACACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN claimed
EP-1338592-B1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2009-01-21 EP claimed
JP-2006521344-A 2006-09-21 JP claimed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US claimed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP claimed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US claimed
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP claimed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US claimed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 WO claimed
US-6124296-A NEUROKININ (TACHYKININ) ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 2000-09-26 US claimed
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN disclosed
CN-116768737-A Preparation method of interface passivation material and perovskite passivation layer 武汉理工大学 2023-09-19 CN disclosed
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
US-5482967-A LOWERING CHOLESTEROL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed
EP-0585913-A2 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-09 EP 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 (3 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-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 TAAR1 1109/4885IDO1 1293/4885MAOB 957/4885
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AADAC, ENPP2, ATXN10 TAAR1 2042/4885IDO1 137/4885MAOB 149/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 TAAR1 1109/4885IDO1 1293/4885MAOB 957/4885

“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.