SCHEMBL6901568

SCHEMBL6901568

Cc1noc(N2CCC(N)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.39
CHRM2 P08172 2/20 0.37
AKT2 P31751 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
MEN1 O00255 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR3A P46098 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SSTR2 P30874 1/20 0.36
OPRK1 P41145 3/20 0.35
JAK2 O60674 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
SCHEMBL13404980 0.82 GPR119 (0.64) GPR119CHRM2OPRK1
SCHEMBL24921379 0.79 GPR119 (0.42) GPR119CHRM2OPRK1
SCHEMBL15116411 0.79 TSHR (0.45) GPR119CHRM2CYP1A2TSHROPRK1
SCHEMBL461984 0.78 GPR119 (0.72) GPR119KDM1AHRH3
SCHEMBL388342 0.78 GPR119 (0.44) GPR119CHRM2OPRK1
SCHEMBL22629468 0.78 KDM4E (0.53) GPR119KDM1AMEN1CYP1A2TSHR
SCHEMBL21109170 0.77 JAK2 (0.43) GPR119CHRM2JAK2JAK1
SCHEMBL23492683 0.77 JAK2 (0.43) GPR119CHRM2JAK2JAK1
SCHEMBL18952735 0.77 JAK2 (0.43) GPR119CHRM2JAK2JAK1
SCHEMBL22628973 0.77 TSHR (0.47) GPR119CYP1A2TSHROPRK1

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 GPR119 1577/4885KDM1A 2087/4885CHRM2 423/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A GPR119 612/4885KDM1A 2/4885CHRM2 1494/4885

“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.