SCHEMBL840509

SCHEMBL840509

[CH2]CCc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
AOC3 Q16853 1/20 0.50
IDO1 P14902 2/20 0.46
MPO P05164 3/20 0.44
LMNA P02545 1/20 0.42
MAOB P27338 2/20 0.42
DAO P14920 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL900755 0.86 TAAR1 (0.58) TAAR1AOC3IDO1MPOLMNA
SCHEMBL9097927 0.84 TAAR1 (0.56) TAAR1AOC3IDO1MPOLMNA
SCHEMBL8526001 0.84 TAAR1 (0.75) TAAR1AOC3IDO1MPOLMNA
SCHEMBL863377 0.82 TAAR1 (0.54) TAAR1AOC3IDO1MPOLMNA
SCHEMBL5584389 0.81 TAAR1 (0.41) TAAR1AOC3IDO1MPOLMNA
SCHEMBL95233 0.79
SCHEMBL30660239 0.79 TAAR1 (0.68) TAAR1AOC3IDO1MPOLMNA
SCHEMBL2090266 0.79 TAAR1 (0.50) TAAR1AOC3IDO1MPOLMNA
SCHEMBL3716644 0.78 TAAR1 (0.39) TAAR1AOC3IDO1LMNAALDH1A1
SCHEMBL15352346 0.78 DAO (0.41) TAAR1AOC3IDO1MPODAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 US claimed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 US claimed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
US-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2002-02-07 US 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
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 (4 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-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885AOC3 1218/4885IDO1 2392/4885
US-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 TAAR1 1379/4885AOC3 1258/4885IDO1 1310/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885AOC3 1218/4885IDO1 2392/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885AOC3 1218/4885IDO1 2392/4885

“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.