SCHEMBL12199717

SCHEMBL12199717

CCN1CCN(c2nc3c(s2)CN(c2ccc4ccccc4n2)CC3)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.64
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR3A P46098 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THPO P40225 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
KMT2A Q03164 1/20 0.44
HTR1A P08908 3/20 0.42

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
SCHEMBL31143522 1.00 HRH3 (0.64) HRH3NPC1RAB9ACYP1A2POLB
SCHEMBL12199716 0.82 RAB9A (0.75) NPC1RAB9ACYP1A2POLBCYP2D6
SCHEMBL3970431 0.79 HRH3 (1.00) HRH3NPC1RAB9ACYP1A2POLB
Hydrochloric Acid SCHEMBL3973471 0.78 HRH3 (0.97) HRH3NPC1RAB9ACYP1A2POLB
SCHEMBL12199721 0.76 RAB9A (0.53) NPC1RAB9ACYP1A2POLBCYP2D6
SCHEMBL12199713 0.73 SLC27A1 (0.47) NPC1RAB9ACYP1A2POLBCYP2D6
SCHEMBL12199712 0.70 OGA (0.53) NPC1RAB9ACYP1A2POLBCYP2D6
SCHEMBL3157852 0.69 RAB9A (1.00) NPC1RAB9ACYP1A2POLBCYP2D6
SCHEMBL12199710 0.67 GRM5 (0.49) NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL12199723 0.66 OGA (0.50) HRH3NPC1RAB9ACYP1A2POLB

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 HRH3 287/4885NPC1 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.