SCHEMBL12199713

SCHEMBL12199713

CCN1CCN(c2nc3c(s2)CN(c2nccs2)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 1/20 0.40
OGA O60502 2/20 0.39
DRD2 P14416 3/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
DRD4 P21917 1/20 0.39
GRM5 P41594 1/20 0.37

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
SCHEMBL10294627 0.82 NPC1 (0.53) SLC27A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL12199716 0.77 RAB9A (0.75) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL12199720 0.76 HRH3 (0.47)
SCHEMBL12199712 0.73 OGA (0.53) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL12199721 0.73 RAB9A (0.53) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL31143522 0.73 HRH3 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL12199717 0.73 HRH3 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL26288617 0.70 DRD2 (0.53) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL12199710 0.70 GRM5 (0.49) NPC1RAB9ASMN1; SMN2OGAGRM5
SCHEMBL12199723 0.69 OGA (0.50) NPC1RAB9ASMN1; SMN2CYP1A2POLB

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-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

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 SLC27A1 884/4885NPC1 608/4885RAB9A 2672/4885

“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.