SCHEMBL79895

SCHEMBL79895

Cc1ccc(C)c(CCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
AMY1A P0DUB6 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL38650825 1.00 TAAR1 (0.59) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL38652213 0.94 TAAR1 (0.57) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL12952724 0.94 TAAR1 (0.57) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL11237534 0.92 TAAR1 (0.55) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL698983 0.87 TAAR1 (0.63) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL38658478 0.87 TAAR1 (0.63) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL17124805 0.84 TAAR1 (0.47) TAAR1NPC1RAB9AALDH1A1TSHR
SCHEMBL30700349 0.83 TP53 (0.41) TAAR1NPC1RAB9AALDH1A1TNF
SCHEMBL585307 0.83 TP53 (0.41) TAAR1NPC1RAB9AALDH1A1TNF
SCHEMBL9491792 0.82 TAAR1 (0.74) TAAR1NPC1RAB9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-5565475-A Method of treating urinary bladder dysfunctions with 3-tetrahydropyridine derivatives MUHLHAUSER MARK A (US) 1996-10-15 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
EP-0734259-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1996-10-02 EP disclosed
EP-0732925-A1 A METHOD OF TREATING GASTROINTESTINAL MOTILITY DISORDERS NOVO NORDISK A/S (DK) 1996-09-25 EP disclosed
US-5545638-A USING A 3-(TETRAHYDROPYRID-3-YL-) SUBSTITUTED (OXA- OR THIA-)DIAZOLE COMPOUND NOVO NORDISK A/S (DK) 1996-08-13 US disclosed
WO-1996014066-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1996-05-17 WO disclosed
EP-0687265-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-12-20 EP disclosed
WO-1995017185-A1 A METHOD OF TREATING GASTROINTESTINAL MOTILITY DISORDERS NOVO NORDISK A/S (DK) 1995-06-29 WO disclosed
WO-1995005174-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO disclosed
WO-1994020495-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-15 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-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 TAAR1 3309/4885NPC1 32/4885RAB9A 1428/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TAAR1 197/4885NPC1 2600/4885RAB9A 3144/4885

“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.