SCHEMBL12199724

SCHEMBL12199724

CCN1CCN(c2nc3c(s2)CN(C(=O)Nc2ccc(Cl)cc2C)CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 4/20 0.41
OGA O60502 1/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 3/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.38
ALOX5 P09917 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL12199711 0.92 TAS1R3 (0.48) KMT2AMEN1MAPTOGARAB9A
SCHEMBL12199712 0.75 OGA (0.53) KMT2AMEN1MAPTOGARAB9A
SCHEMBL12199709 0.74 POLB (0.40) OGARAB9AGAANPC1POLB
SCHEMBL12199710 0.72 GRM5 (0.49) MAPTOGARAB9ANPC1TP53
SCHEMBL30717355 0.71 NPC1 (0.43) KMT2AMEN1MAPTOGARAB9A
SCHEMBL12199714 0.70 HDAC3 (0.49) KMT2AMEN1MAPTOGAGAA
SCHEMBL12199715 0.70 GRAMD1A (0.46) MAPTOGARAB9ANPC1
SCHEMBL30717490 0.69 CNR1 (0.40) KMT2AMEN1MAPTOGARAB9A
SCHEMBL12199721 0.67 RAB9A (0.53) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL4673514 0.66 RAB9A (0.55) KMT2AMEN1MAPTRAB9ANPC1

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 1 patent. 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

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 KMT2A 1893/4885MEN1 4604/4885MAPT 908/4885

“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.