SCHEMBL119678

SCHEMBL119678

O=C1CCCN1c1ccc(CCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 2/20 0.53
LMNA P02545 5/20 0.51
USP2 O75604 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 5/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1C3 P42330 1/20 0.50
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL21770514 0.96 ALDH1A1 (0.53) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL11823127 0.89 RAB9A (0.44) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL11142367 0.84 ALDH1A1 (0.74) ALDH1A1HPGDTSHRAKR1C3SMN1; SMN2
SCHEMBL19003596 0.82 ALDH1A1 (0.57) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL2152758 0.82 ALDH1A1 (0.57) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL123930 0.82 ALDH1A1 (0.57) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL14473350 0.82 ALDH1A1 (0.62) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL3841239 0.82 USP2 (0.58) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL20901665 0.81 HRH3 (0.59) ALDH1A1MAPTLMNAUSP2HTT
SCHEMBL29930316 0.79 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 EP disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
CN-102427810-A Sulfamoylbenzoic acid derivatives as TRPM8 antagonists RAQUALIA PHARMA INC 2012-04-25 CN disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
EP-2424517-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc (JP) 2012-03-07 EP disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 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-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 ALDH1A1 2574/4885MAPT 742/4885LMNA 3677/4885
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 ALDH1A1 1996/4885MAPT 2242/4885LMNA 3339/4885

“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.