SCHEMBL2595672

SCHEMBL2595672

Cc1cc(Cl)ccc1C(=O)NC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CNR2 P34972 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ANO1 Q5XXA6 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
F10 P00742 1/20 0.46
HPGD P15428 2/20 0.46
TTK P33981 1/20 0.45
KDM1A O60341 1/20 0.45

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
SCHEMBL13162001 0.86 NPC1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL13162870 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATTKKDM1A
SCHEMBL13161902 0.83 ALDH1A1 (0.51) ALDH1A1CNR2ANO1FLT1FLT4
SCHEMBL2635945 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AFLT1FLT4
SCHEMBL13162026 0.83 HPGD (0.56) ALDH1A1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL13162687 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATTKKDM1A
SCHEMBL26095117 0.82 ALDH1A1 (0.56) ALDH1A1CNR2ANO1TRPV1HPGD
SCHEMBL13162029 0.81 HPGDS (0.57) ALDH1A1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL13163145 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATTKKDM1A
SCHEMBL29798407 0.81 HPGDS (0.57) ALDH1A1CNR2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871788-B2 Substituted N-alkyl and N-acyl tetrahydro-isoquinoline derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-10-28 US disclosed
US-8871788-B2 Substituted N-alkyl and N-acyl tetrahydro-isoquinoline derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-10-28 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2569303-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
US-20130065919-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-14 US disclosed
US-20130065919-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-14 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
WO-2011143145-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143145-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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-20130065919-A1 SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HNMT, HRH4 ALDH1A1 1188/4885CNR2 6/4885SMN1; SMN2 1360/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885CNR2 42/4885SMN1; SMN2 3213/4885

“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.