SCHEMBL2817330

SCHEMBL2817330

O=Cc1ccc2c(c1)CCC(NC(=O)c1ccc(OCC3CCCO3)cn1)C2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.64
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GRM5 P41594 3/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FGFR4 P22455 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2817328 1.00 MCHR1 (0.64) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL418820 0.94 MCHR1 (0.71) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL418821 0.94 MCHR1 (0.71) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL2813040 0.89 RAB9A (0.62) MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2813037 0.89 RAB9A (0.62) MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2813850 0.89 RAB9A (0.62) MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL416788 0.87 MCHR1 (0.69) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL416789 0.87 MCHR1 (0.69) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL13129522 0.86 MCHR1 (0.66) MCHR1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL13129515 0.86 MCHR1 (0.65) MCHR1NPC1RAB9ASMN1; SMN2GRM5

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-8609731-B2 Substituted tetrahydronaphthalenes, process for the preparation thereof and the use thereof as medicaments SANOFI (FR) 2013-12-17 US disclosed
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2010-09-30 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-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 MCHR1 2699/4885NPC1 403/4885RAB9A 3214/4885

“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.