SCHEMBL1188334

SCHEMBL1188334

Cc1cc(N2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)[S+]([O-])CC4)CC2)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ C5AR1 P21730 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL8032394 1.00 HTR3A (0.32) HTR3AHRH4SCN9ACCR1C5AR1
SCHEMBL8038926 0.91 TRPV3 (0.34) HTR3AHRH4SCN9AEGFR
SCHEMBL1186844 0.91 TRPV3 (0.34) HTR3AHRH4SCN9AEGFR
SCHEMBL3046733 0.89 HTR3A (0.36) HTR3AHRH4DRD2DRD4EGFR
SCHEMBL3046737 0.89 HTR3A (0.36) HTR3AHRH4DRD2DRD4EGFR
SCHEMBL1187431 0.89 P2RX3 (0.31) HTR3AHRH4
SCHEMBL8037090 0.89 P2RX3 (0.31) HTR3AHRH4
SCHEMBL9275439 0.87 HTR3A (0.34) HTR3AHRH4
SCHEMBL12872285 0.87 HTR3A (0.34) HTR3AHRH4
SCHEMBL9270241 0.86 TRPV3 (0.35) SCN9AC5AR1

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
EP-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP 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 HTR3A 3014/4885HRH4 25/4885SCN9A 3497/4885

“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.

Send feedback