SCHEMBL595365

SCHEMBL595365

C=C(C(=O)OC)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
PARP1 P09874 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6589547 0.82 CES2 (0.68) CES2CES1NPC1RAB9AHDAC1
SCHEMBL27397739 0.82 LMNA (0.55) CES2CES1NPC1RAB9AHDAC1
SCHEMBL8894645 0.82 CES2 (0.46) CES2CES1NPC1RAB9AHDAC1
SCHEMBL27724420 0.81 CES2 (0.55) CES2CES1NPC1RAB9AHDAC1
SCHEMBL29548994 0.81 KDM4E (0.50) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL6556383 0.81 HDAC8 (0.53) NPC1RAB9AHDAC6KMT2AMEN1
SCHEMBL14537112 0.80 CES2 (0.59) CES2CES1NPC1RAB9AHDAC1
SCHEMBL11469358 0.80 NPC1 (0.41) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL6556491 0.79 PARP1 (0.50) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL1232962 0.79 PBRM1 (0.49) NPC1RAB9AALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2076494-B1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-07-28 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
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
US-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 US disclosed
EP-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 EP disclosed
US-5670531-A ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-09-23 US disclosed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 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 (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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC CES2 2535/4885CES1 180/4885NPC1 24/4885

“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.