SCHEMBL784197

SCHEMBL784197

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CCCCC1)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.39
F10 P00742 5/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4D Q6B0I6 1/20 0.36
ABL1 P00519 2/20 0.36
RIN1 Q13671 2/20 0.36
CCR5 P51681 1/20 0.36
ROCK2 O75116 2/20 0.35
CNR2 P34972 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
KDM6B O15054 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
SCHEMBL785183 0.96 F10 (0.39) NPC1RAB9APOLBF10KDM4D
SCHEMBL784756 0.89 F10 (0.40) NPC1RAB9APOLBF10CCR5
SCHEMBL784381 0.86 NPC1 (0.38) NPC1RAB9APOLBF10ALDH1A1
SCHEMBL784304 0.86 POLB (0.42) NPC1RAB9APOLBF10ABL1
SCHEMBL784391 0.85 ROCK2 (0.38) NPC1RAB9AF10MAPTSMN1; SMN2
SCHEMBL785767 0.85 CTSS (0.42) POLBF10ALDH1A1LMNAMAPT
SCHEMBL803651 0.85 GPR119 (0.39) NPC1RAB9AF10KDM4D
SCHEMBL785435 0.85 F10 (0.39) NPC1RAB9AF10ALDH1A1LMNA
SCHEMBL785450 0.85 F10 (0.39) NPC1RAB9AF10MAPTCCR5
SCHEMBL785915 0.85 F10 (0.39) NPC1RAB9AF10CCR5ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 NPC1 2033/4885RAB9A 1673/4885POLB 3355/4885

“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.