SCHEMBL12199712

SCHEMBL12199712

CCN1CCN(c2nc3c(s2)CN(C(C)=O)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.53
GRM5 P41594 3/20 0.47
RAD52 P43351 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
TP53 P04637 2/20 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
SCHEMBL12199710 0.86 GRM5 (0.49) OGAGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL30717355 0.85 NPC1 (0.43) OGAGRM5RAD52RECQLNPC1
SCHEMBL12199715 0.84 GRAMD1A (0.46) OGARAD52RECQLNPC1RAB9A
SCHEMBL12199709 0.81 POLB (0.40) OGAGRM5RAD52RECQLNPC1
SCHEMBL12199714 0.80 HDAC3 (0.49) OGAGRM5SMN1; SMN2ALDH1A1GAA
SCHEMBL23652549 0.77 MEN1 (0.54) OGAPOLBCYP1A2CYP2D6CYP2C9
SCHEMBL12199711 0.76 TAS1R3 (0.48) OGANPC1RAB9APOLBALDH1A1
SCHEMBL16286107 0.76 GRM5 (0.53) OGAGRM5RAD52RECQLNPC1
SCHEMBL12199724 0.75 KMT2A (0.43) OGANPC1RAB9APOLBGAA
SCHEMBL9382117 0.74 GRM5 (0.56) OGAGRM5NPC1RAB9ABPTF

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 OGA 843/4885GRM5 33/4885RAD52 4560/4885

“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.