SCHEMBL20989341

SCHEMBL20989341

CCCCCCC(CC)c1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ METAP1 P53582 1/20 0.32

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
SCHEMBL23871083 0.94 MAPK1 (0.42) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL19853096 0.94 TSHR (0.48) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL19464665 0.87 TSHR (0.47) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL20376066 0.87 MAPK1 (0.43) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL21014315 0.83 ESR1 (0.46) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL26673673 0.83 NR1I2 (0.40) L3MBTL1NR1I2ESR1ESR2MAPT
SCHEMBL19232028 0.83 MAPK1 (0.41) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL18595311 0.81 RAB9A (0.43) MAPK1L3MBTL1NPC1NR1I2ESR1
SCHEMBL24501320 0.81 TSHR (0.46) TSHRMAPK1L3MBTL1NPC1GLA
SCHEMBL24119986 0.80 MAPK1 (0.40) TSHRMAPK1L3MBTL1NPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 — — US disclosed
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 — — US disclosed
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 — — US 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 (4 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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT TSHR 3875/4885MAPK1 2821/4885L3MBTL1 3787/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 TSHR 481/4885MAPK1 3542/4885L3MBTL1 3852/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 TSHR 481/4885MAPK1 3542/4885L3MBTL1 3852/4885
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT TSHR 3875/4885MAPK1 2821/4885L3MBTL1 3787/4885

“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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