SCHEMBL16285304

SCHEMBL16285304

CCCN1CCc2nc(C(C)(C)C)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.49
RECQL P46063 1/20 0.49
GRM5 P41594 5/20 0.45
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2700638 0.88 RAD52 (0.63) RAD52RECQLGRM5HRH3GAA
SCHEMBL16285309 0.87 RAD52 (0.44) RAD52RECQLGRM5HRH3GAA
SCHEMBL2698671 0.85 HRH3 (0.43) RAD52RECQLGRM5HRH3GAA
SCHEMBL17087992 0.84 RAD52 (0.47) RAD52RECQLGRM5HRH3GAA
SCHEMBL22966540 0.81 HRH3 (0.41) RAD52RECQLGRM5HRH3GAA
SCHEMBL22966532 0.81 RAD52 (0.44) RAD52RECQLGRM5HRH3GAA
SCHEMBL22966674 0.80 GRM5 (0.42) RAD52RECQLGRM5HRH3GAA
SCHEMBL22966547 0.80 HRH3 (0.43) RAD52RECQLGRM5HRH3GAA
SCHEMBL12680942 0.80 RAD52 (0.53) RAD52RECQLGRM5HRH3GAA
SCHEMBL17087990 0.80 RAD52 (0.43) RAD52RECQLGRM5HRH3GAA

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-9238658-B2 Substituted piperidinyl-carboxamide derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-01-19 US disclosed
US-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 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-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, FASN RAD52 4626/4885RECQL 4443/4885GRM5 2827/4885

“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.