SCHEMBL13129504

SCHEMBL13129504

O=C(N[C@H]1CCc2cc(CN3CCCCCCC3)ccc2C1)c1ccc(OC[C@@H]2CCCO2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.75
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL13129410 1.00 MCHR1 (0.75) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13129581 1.00 MCHR1 (0.75) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13129313 1.00 MCHR1 (0.75) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13129309 0.99 MCHR1 (0.76) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2816464 0.99 MCHR1 (0.76) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13946356 0.99 MCHR1 (0.76) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2816465 0.99 MCHR1 (0.76) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13129582 0.98 MCHR1 (0.72) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13129367 0.97 MCHR1 (0.76) MCHR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13129330 0.94 MCHR1 (0.74) MCHR1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI (FR) 2014-03-27 US disclosed
US-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI (FR) 2014-03-27 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
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 (2 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-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 MCHR1 2699/4885SMN1; SMN2 3949/4885NPC1 403/4885
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 MCHR1 2699/4885SMN1; SMN2 3949/4885NPC1 403/4885

“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.