SCHEMBL594263

SCHEMBL594263

Cc1ccccc1C(=O)NC1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.59
GLA P06280 1/20 0.59
POLB P06746 4/20 0.58
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.54
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR4 Q13639 1/20 0.51
BTK Q06187 1/20 0.50

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
Hydrochloric Acid SCHEMBL4937740 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL457993 0.89 NPC1 (0.84) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL22123764 0.88 TAS1R3 (0.57) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162659 0.85 NPC1 (0.97) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162641 0.85 NPC1 (0.90) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL23573548 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL8198182 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL23573547 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13161968 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162623 0.83 NPC1 (0.74) NPC1RAB9ASMN1; SMN2GLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734700-A SMO inhibitor of the piperidine structure containing benzoyl and preparation method thereof and purposes 中国药科大学 2019-05-10 CN disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
CN-101528695-B MTP-INHIBITING COMPOUNDS OF PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACIDS JANSSEN PHARMACEUTICA NV 2013-07-17 CN 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
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2076494-B1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-07-28 EP disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 US disclosed
CN-101528695-A MTP-inhibiting compounds of piperidine-or piperazine-substituted tetrahydro-naphthalene-1-carboxylic acids JANSSEN PHARMACEUTICA NV (BE) 2009-09-09 CN disclosed
EP-2076494-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-08 EP disclosed
WO-2008049806-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO 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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC NPC1 24/4885RAB9A 3564/4885SMN1; SMN2 2720/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 NPC1 4144/4885RAB9A 4223/4885SMN1; 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.