SCHEMBL2532937

SCHEMBL2532937

c1ccn2cc(C[C@@H]3CCCCN3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
METTL3 Q86U44 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPK1 P28482 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL8136045 0.81 POLB (0.40) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL2123450 0.81 LTA4H (0.43) POLBMETTL3CYP1A2CYP3A4CYP2D6
SCHEMBL2120914 0.79 PDE10A (0.44) KDM4EPOLBALDH1A1HPGDMETTL3
SCHEMBL7857160 0.79 POLB (0.46) POLBSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL2123218 0.79 KDM4E (0.53) KDM4EHSD17B10TSHRPOLBSMN1; SMN2
SCHEMBL2121641 0.79 PDE10A (0.48) KDM4EHSD17B10POLBALDH1A1HPGD
SCHEMBL8152635 0.79 POLB (0.43) KDM4EHSD17B10POLBSMN1; SMN2ALDH1A1
SCHEMBL2616553 0.79 POLB (0.43) KDM4EHSD17B10POLBALDH1A1HPGD
SCHEMBL2121738 0.78 METTL3 (0.40) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL2122080 0.78 LTA4H (0.42) KDM4EPOLBALDH1A1HPGD

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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 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 (3 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 KDM4E 769/4885HSD17B10 2850/4885TSHR 155/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 KDM4E 3080/4885HSD17B10 2796/4885TSHR 1804/4885
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 KDM4E 1459/4885HSD17B10 3769/4885TSHR 321/4885

“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.