SCHEMBL12199723

SCHEMBL12199723

CCN1CCN(c2nc3c(s2)CNCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
RAD52 P43351 2/20 0.38
RECQL P46063 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
CHRNA7 P36544 1/20 0.34
PDCD1 Q15116 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21800245 0.84 OGA (0.53) OGASMN1; SMN2RAB9APOLBPDCD1
SCHEMBL31164729 0.82 OGA (0.50) OGASMN1; SMN2NPC1RAB9APOLB
SCHEMBL15880246 0.80 OGA (0.51) OGASMN1; SMN2NPC1RAB9ATP53
SCHEMBL23652793 0.73 MEN1 (0.58) OGASMN1; SMN2POLBCYP1A2CYP2D6
SCHEMBL30717627 0.73 OGA (0.44) OGASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL13344486 0.72 HRH3 (0.44) OGAHRH3KCNH2
SCHEMBL19295869 0.72 OGA (0.66) OGASMN1; SMN2NPC1RAB9APOLB
SCHEMBL30717621 0.71 OGA (0.39) OGA
SCHEMBL12199712 0.71 OGA (0.53) OGASMN1; SMN2NPC1RAB9APOLB
SCHEMBL12199713 0.69 SLC27A1 (0.47) OGASMN1; SMN2NPC1RAB9APOLB

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 OGA 843/4885SMN1; SMN2 3310/4885NPC1 608/4885

“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.