SCHEMBL19783047

SCHEMBL19783047

CCOC(COc1ccc(OC)cc1Cl)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
S1PR4 O95977 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2A P28223 3/20 0.39
RAB9A P51151 5/20 0.39
ENPP2 Q13822 1/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL29481819 0.88 FFAR1 (0.39) SLC6A4HTR2AMAPTCA12CA1
SCHEMBL21460008 0.88 FFAR1 (0.39) SLC6A4HTR2AMAPTCA12CA1
SCHEMBL3720318 0.85 LMNA (0.34) MRGPRX4S1PR4RAB9AMAPTL3MBTL1
SCHEMBL15068012 0.83 CA12 (0.39) HTR2ARAB9AMAPTCA12CA1
SCHEMBL11514164 0.83 TSHR (0.47) S1PR4RAB9AMAPTTDP1L3MBTL1
SCHEMBL11159125 0.82 MRGPRX4 (0.50) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL4009167 0.80 GAA (0.45) MRGPRX4RAB9AMAPTCA1CA2
SCHEMBL14742073 0.80 TSHR (0.52) S1PR4RAB9ATDP1SMN1; SMN2ALDH1A1
SCHEMBL27931862 0.80 MRGPRX4 (0.46) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL29481760 0.79 CA12 (0.38) HTR2ACA12CA1CA2CA7

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
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 MRGPRX4 273/4885S1PR4 782/4885SLC6A4 338/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MRGPRX4 325/4885S1PR4 722/4885SLC6A4 227/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MRGPRX4 273/4885S1PR4 782/4885SLC6A4 338/4885

“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.