SCHEMBL12872295

SCHEMBL12872295

CC(C)[C@H](CO)Nc1nc(N2CCN(c3ccc(Cl)cc3F)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 8/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ HRH4 Q9H3N8 5/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ CDK1 P06493 1/20 0.33
▸ GPR6 P46095 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL8034806 0.91 HRH4 (0.38) TRPV3PHGDHHRH4HTR3AGRM5
SCHEMBL12872284 0.91 HRH4 (0.38) TRPV3PHGDHHRH4HTR3AGRM5
SCHEMBL3046733 0.88 HTR3A (0.36) TRPV3HRH4HTR3ADRD4CDK1
SCHEMBL3046737 0.88 HTR3A (0.36) TRPV3HRH4HTR3ADRD4CDK1
SCHEMBL12872225 0.87 MAT2A (0.35) TRPV3HRH4HTR3AGRM5KDM4E
SCHEMBL8033487 0.87 MAT2A (0.35) TRPV3HRH4HTR3AGRM5KDM4E
SCHEMBL1186844 0.86 TRPV3 (0.34) TRPV3PHGDHHRH4HTR3A
SCHEMBL8038926 0.86 TRPV3 (0.34) TRPV3PHGDHHRH4HTR3A
SCHEMBL12872285 0.86 HTR3A (0.34) TRPV3PHGDHHRH4HTR3ACDK1
SCHEMBL9275439 0.86 HTR3A (0.34) TRPV3PHGDHHRH4HTR3ACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — 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 (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-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 TRPV3 277/4885PHGDH 526/4885HRH4 25/4885

“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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