SCHEMBL16285309

SCHEMBL16285309

CC(C)(C)c1nc2c(s1)CN(CCO)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
HRH3 Q9Y5N1 1/20 0.40
GRM5 P41594 5/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL22966547 0.87 HRH3 (0.43) RAD52RECQLHRH3GRM5GAA
SCHEMBL16285304 0.87 RAD52 (0.49) RAD52RECQLHRH3GRM5GAA
SCHEMBL2700638 0.84 RAD52 (0.63) RAD52RECQLHRH3GRM5GAA
SCHEMBL2698671 0.83 HRH3 (0.43) RAD52RECQLHRH3GRM5GAA
SCHEMBL22966515 0.83 RAD52 (0.43) RAD52RECQLHRH3GRM5GAA
SCHEMBL22966540 0.83 HRH3 (0.41) RAD52RECQLHRH3GRM5GAA
SCHEMBL17087992 0.82 RAD52 (0.47) RAD52RECQLHRH3GRM5GAA
SCHEMBL22966674 0.82 GRM5 (0.42) RAD52RECQLHRH3GRM5GAA
SCHEMBL22966522 0.81 GAA (0.41) RAD52RECQLGRM5GAAALDH1A1
SCHEMBL16286091 0.81 RAD52 (0.48) RAD52RECQLHRH3GRM5GAA

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
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 (2 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 4443/4885HRH3 3278/4885
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP RAD52 2510/4885RECQL 1365/4885HRH3 1093/4885

“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.