SCHEMBL1970666

SCHEMBL1970666

c1ccc2[nH]c(CCNCC3CC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.57
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
IDO1 P14902 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CHRM1 P11229 1/20 0.51
GAA P10253 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL1971259 0.81 KMT2A (0.61) HTTPOLBSMN1; SMN2IDO1NPC1
SCHEMBL2410301 0.81 TDP1 (0.56) POLBIDO1RAB9ACSNK2A2CSNK2B
SCHEMBL21486245 0.79 SMN1; SMN2 (0.63) LMNAHTTPOLBSMN1; SMN2NPC1
SCHEMBL1972170 0.78 CYP1A2 (0.54) SMN1; SMN2RAB9AKDM4E
SCHEMBL1825671 0.78 IDO1 (0.79) LMNAHTTPOLBSMN1; SMN2IDO1
SCHEMBL1971839 0.78 KMT2A (0.50) LMNAHTTPOLBGAAKDM4E
SCHEMBL22326455 0.78 SMN1; SMN2 (0.62) LMNAHTTPOLBSMN1; SMN2NPC1
SCHEMBL11353975 0.78 POLB (0.65) LMNAHTTPOLBSMN1; SMN2NPC1
SCHEMBL20707630 0.77 RAB9A (0.67) LMNAHTTPOLBSMN1; SMN2NPC1
SCHEMBL25248849 0.76 CHRM1 (0.74) LMNAHTTPOLBSMN1; SMN2NPC1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 LMNA 2416/4885HTT 482/4885POLB 4374/4885

“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.