SCHEMBL398644

SCHEMBL398644

[CH2]CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
MAOB P27338 2/20 0.53
MIF P14174 1/20 0.50
IDO1 P14902 3/20 0.48
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DAO P14920 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KIF11 P52732 1/20 0.41
KMT2A Q03164 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
SCHEMBL27900208 0.94 MAOB (0.63) TAAR1MAOBMIFIDO1KIF11
SCHEMBL5544769 0.88 TAAR1 (0.50) TAAR1MAOBMIFIDO1KMT2A
SCHEMBL1119524 0.86 TAAR1 (0.57) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL934227 0.85 TAAR1 (0.73) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL1046291 0.85 TAAR1 (0.55) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL1047874 0.83 TAAR1 (0.53) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL18378241 0.82 TAAR1 (0.42) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL127709 0.80 TAAR1 (0.54) TAAR1MAOBMIFIDO1KDM4E
SCHEMBL2092697 0.80 MAOB (0.58) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL2745550 0.79 GFER (0.42) TAAR1MAOBKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237580-A1 TRICYCLIC SPIROLACTAM COMPOUNDS WITH ANTIMYCOBACTERIAL ACTIVITY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2023-12-14 WO claimed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP claimed
CN-109071444-A N- (cyanobenzyl) -6- (cyclopropyl-carbonylamino) -4- (phenyl) -pyridine-2-carboxamide derivatives and related compounds as pesticides and plant protection agents 拜耳作物科学股份公司 2018-12-21 CN claimed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
EP-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 EP claimed
CN-1829690-A Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-1626043-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2006-02-15 EP claimed
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US claimed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP claimed
JP-2001506231-A 2001-05-15 JP claimed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO claimed
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 US claimed
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP claimed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE TAAR1 205/4885MAOB 1165/4885MIF 4787/4885

“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.