SCHEMBL12199716

SCHEMBL12199716

CCN1CCN(c2nc3c(s2)CN(c2nc4ccccc4s2)CC3)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.75
NPC1 O15118 10/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
POLB P06746 2/20 0.75
CYP1A2 P05177 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
DRD4 P21917 1/20 0.51
GRM2 Q14416 1/20 0.51
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46

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
SCHEMBL3157852 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL12199717 0.82 HRH3 (0.64) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL31143522 0.82 HRH3 (0.64) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL12199721 0.78 RAB9A (0.53) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL12199713 0.77 SLC27A1 (0.47) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL21047628 0.73 RAB9A (0.65) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL27652569 0.73 RAB9A (0.72) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL28142588 0.73 RAB9A (0.72) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL6125228 0.72 RAB9A (0.70) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL12199712 0.71 OGA (0.53) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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 RAB9A 2672/4885NPC1 608/4885SMN1; SMN2 3310/4885

“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.