SCHEMBL12199720

SCHEMBL12199720

c1csc(N2CCc3nc(N4CCC(N5CCCCC5)CC4)sc3C2)n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.47
KCNH2 Q12809 4/20 0.43

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
SCHEMBL12199713 0.76 SLC27A1 (0.47)
SCHEMBL13344486 0.72 HRH3 (0.44) HRH3KCNH2
SCHEMBL12245061 0.70 HRH3 (0.59) HRH3
SCHEMBL12245068 0.70 HRH3 (0.59) HRH3
SCHEMBL12199719 0.70 GRAMD1A (0.44) HRH3
SCHEMBL30359087 0.69 CHI3L1 (0.44) HRH3
SCHEMBL233663 0.68 NPC1 (0.51) HRH3
SCHEMBL13711959 0.68 NPC1 (0.51) HRH3
SCHEMBL160290 0.67 NPC1 (0.53) HRH3
Bromide SCHEMBL6317924 0.65 NPC1 (0.51) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING PLOUGH CORPORATION (US) 2011-10-06 US disclosed
US-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING PLOUGH CORPORATION (US) 2011-10-06 US disclosed
WO-2010071822-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-06-24 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-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GID4, IL5 HRH3 287/4885KCNH2 916/4885

“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.