SCHEMBL2404975

SCHEMBL2404975

Cc1ccc(C)c(CC(=O)N(C)C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCC1 P33527 1/20 0.39
CCR5 P51681 5/20 0.38
POLB P06746 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL2405758 0.88 KMT2A (0.41) KMT2ACHRM1MEN1NPC1RAB9A
SCHEMBL2408117 0.81 KMT2A (0.52) KMT2ACHRM1NPC1ALDH1A1CCR5
SCHEMBL27500492 0.80 TAAR1 (0.44) KMT2ACHRM1MEN1NPC1RAB9A
SCHEMBL2407533 0.78 KCNH2 (0.49) KMT2AMEN1NPC1RAB9ACCR5
SCHEMBL2406603 0.77 HTR2A (0.47) KMT2ACHRM1MEN1RAB9ANPSR1
SCHEMBL15297065 0.77 GRM1 (0.36) KMT2AMEN1SMN1; SMN2TAAR1
SCHEMBL2403274 0.77 ICMT (0.49) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2404555 0.77 CCR5 (0.44) KMT2AMEN1RAB9AALDH1A1CCR5
SCHEMBL2404441 0.76 NPC1 (0.52) KMT2ANPC1CCR5POLB
SCHEMBL37138 0.71 SRC (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 1 patent. 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

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 KMT2A 253/4885CHRM1 152/4885MEN1 525/4885

“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.