SCHEMBL18250079

SCHEMBL18250079

COc1cc(Br)ccc1Cc1ncc(C)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.47
▸ PYCR1 P32322 1/20 0.41
▸ MTNR1B P49286 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ FRK P42685 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL18250073 0.76 MTNR1A (0.41) MTNR1AMTNR1BMAPTFYNLYN
SCHEMBL27916161 0.71 PYCR1 (0.43) PYCR1MAPTPOLBTSHRMAPK1
SCHEMBL28462816 0.69 LPAR1 (0.33) MAPTTHRBPOLBGAAHTT
SCHEMBL8163718 0.69 HTR2A (0.63) PYCR1POLBKDM4ETDP1
SCHEMBL1125103 0.69 PYCR1 (0.53) PYCR1MAPTTHRBTSHRMAPK1
SCHEMBL3484403 0.69 PYCR1 (0.53) PYCR1MAPTTHRBTSHRMAPK1
SCHEMBL30423333 0.69 PYCR1 (0.53) PYCR1MAPTTHRBTSHRMAPK1
SCHEMBL29002529 0.69 TSHR (0.46) PYCR1MAPTTSHRMAPK1GAA
SCHEMBL29002566 0.69 PYCR1 (0.41) PYCR1MAPTPOLBTSHRMAPK1
SCHEMBL30415099 0.68 SLC6A4 (0.57) PYCR1MAPTTHRBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
US-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 — — US disclosed
US-20180127422-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-10 — — US disclosed
EP-3298015-A1 COMPOUNDS The University Court of the University of Edinburgh (GB) 2018-03-28 — — EP disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — 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-20180127422-A1 COMPOUNDS CBR3, OR10J3, CBR1 MTNR1A 247/4885PYCR1 1255/4885MTNR1B 402/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 MTNR1A 194/4885PYCR1 1157/4885MTNR1B 323/4885

“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.

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