SCHEMBL7477540

SCHEMBL7477540

CCc1ccc(OCC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
MAPT P10636 4/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.47
ABCB1 P08183 2/20 0.47
HPGD P15428 4/20 0.46
POLB P06746 2/20 0.46
XBP1 P17861 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACACB O00763 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 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
SCHEMBL123415 0.86 MAPT (0.55) NPC1MAPTMEN1ALOX12KMT2A
SCHEMBL15114294 0.84 LMNA (0.57) NPC1MAPTMEN1ALOX12KMT2A
SCHEMBL27729574 0.83 KMT2A (0.51) NPC1MAPTMEN1ALOX12KMT2A
SCHEMBL29034950 0.83 ALDH1A1 (0.43) NPC1MAPTKMT2ALMNAHPGD
SCHEMBL18295408 0.83 SLC6A4 (0.46) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL9721341 0.83 LMNA (0.62) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL14528314 0.83 FFAR1 (0.50) NPC1MAPTLMNAHPGDPOLB
SCHEMBL4527180 0.83 MAPT (0.50) NPC1MAPTMEN1ALOX12KMT2A
SCHEMBL13155583 0.83 ACACB (0.53) NPC1MAPTMEN1ALOX12KMT2A
SCHEMBL7329813 0.82 NQO1 (0.67) NPC1MAPTMEN1ALOX12KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c ACADIA PHARMACEUTICALS INC. (US) 2023-12-12 US disclosed
WO-2021249364-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS WANG, JINPING (CN) 2021-12-16 WO disclosed
EP-3828170-A1 METHOD FOR SAFELY PREPARING PIMAVANSERIN AND TARTRATE SALT THEREOF USING TRIPHOSGENE Livzon New North River Pharmaceutical Co., Ltd. (CN) 2021-06-02 EP disclosed
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
WO-2013071039-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2013-05-16 WO disclosed
US-8377639-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2013-02-19 US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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 (9 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-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 NPC1 399/4885MAPT 1799/4885MEN1 3082/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 NPC1 117/4885MAPT 4608/4885MEN1 2314/4885
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c NR3C2, NR2C2, CYP4A22 NPC1 1639/4885MAPT 4837/4885MEN1 4247/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL NPC1 3918/4885MAPT 4817/4885MEN1 3377/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 NPC1 633/4885MAPT 4038/4885MEN1 1444/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 NPC1 399/4885MAPT 1799/4885MEN1 3082/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 NPC1 236/4885MAPT 4883/4885MEN1 4405/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 NPC1 236/4885MAPT 4883/4885MEN1 4405/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 NPC1 236/4885MAPT 4883/4885MEN1 4405/4885

“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.