SCHEMBL2536712

SCHEMBL2536712

O=C(c1cc[c]nc1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.46
GRM5 P41594 7/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL743014 0.98 HPGD (0.53) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL23388092 0.95 HPGD (0.48) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL2342799 0.85 KMT2A (0.56) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL28837058 0.85 SMN1; SMN2 (0.52) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL2347324 0.84 POLB (0.51) HPGDKDM4EPOLBALOX15GRM5
SCHEMBL23387920 0.84 HPGD (0.51) HPGDALDH1A1HSD17B10GRM5MEN1
SCHEMBL743882 0.84 SMN1; SMN2 (0.57) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL23388061 0.83 GRM5 (0.47) GRM5
SCHEMBL23388082 0.81 ACHE (0.56) HPGDALDH1A1GRM5TSHRKMT2A
SCHEMBL23387903 0.81 VNN1 (0.47) ALDH1A1GRM5MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885ALDH1A1 3756/4885KDM4E 1047/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALDH1A1 2837/4885KDM4E 1384/4885

“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.