SCHEMBL79190

SCHEMBL79190

OCCCc1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
PNMT P11086 1/20 0.54
IDO1 P14902 2/20 0.47
TLR8 Q9NR97 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A13 Q16696 1/20 0.40
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39
FAAH O00519 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL29924786 0.87 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL2963562 0.87 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL1044928 0.83 TAAR1 (0.56) TAAR1PNMTIDO1POLBCYP1A2
SCHEMBL15319206 0.82 HSP90AA1 (0.49) TAAR1PNMTIDO1TLR8POLB
SCHEMBL79911 0.80 ALDH1A1 (0.41) TAAR1PNMTTLR8ALDH1A1
SCHEMBL79943 0.80 TAAR1 (0.37) TAAR1PNMTTLR8POLBCYP1A2
SCHEMBL16414054 0.80 CYP1A2 (0.50) TAAR1PNMTTLR8KDM4EPOLB
SCHEMBL16953278 0.80 TAAR1 (0.37) TAAR1PNMTTLR8KDM4EALDH1A1
SCHEMBL10914706 0.79 TAAR1 (0.77) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL6679790 0.79 TAAR1 (0.59) TAAR1PNMTIDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN 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
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TAAR1 197/4885PNMT 59/4885IDO1 5/4885

“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.