SCHEMBL18113953

SCHEMBL18113953

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c([C@H]2CCCOC2)s1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GCK P35557 2/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.33
▸ APLNR P35414 3/20 0.32
▸ ADORA2A P29274 3/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ POLQ O75417 1/20 0.32
▸ ADCY8 P40145 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18113837 1.00 RIPK1 (0.33) RIPK1NPC1RAB9AGRM5GCK
SCHEMBL18113860 1.00 RIPK1 (0.33) RIPK1NPC1RAB9AGRM5GCK
SCHEMBL20481492 0.94 PIK3CG (0.34) NPC1RAB9ATRPV4ADORA2AADORA1
SCHEMBL18113907 0.89 IRAK4 (0.36) NPC1RAB9ATRPV4ADORA2AADORA1
SCHEMBL18113769 0.88 TRPV4 (0.38) NPC1RAB9ATRPV4POLQALDH1A1
SCHEMBL20481600 0.85 NPC1 (0.39) NPC1RAB9AALDH1A1RXFP1L3MBTL1
SCHEMBL18113828 0.84 NPC1 (0.35) NPC1RAB9ATRPV4ADORA2AADORA1
SCHEMBL18113870 0.84 TRPV4 (0.33) NPC1RAB9ATRPV4ADORA2AADORA1
SCHEMBL18113923 0.78 — —
SCHEMBL18113822 0.77 ADORA2A (0.42) TRPV4ADORA2AADORA1

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-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — 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 (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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 RIPK1 2239/4885NPC1 1133/4885RAB9A 3142/4885

“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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