SCHEMBL4046483

SCHEMBL4046483

O=[N+]([O-])c1ccccc1CCNC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.69
MAPK1 P28482 3/20 0.65
ACHE P22303 5/20 0.61
BCHE P06276 4/20 0.61
BACE1 P56817 4/20 0.61
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 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 SCHEMBL5188069 0.99 SIGMAR1 (0.67) SIGMAR1MAPK1ACHEBCHEBACE1
SCHEMBL3602487 0.89 SIGMAR1 (0.73) SIGMAR1MAPK1ACHEBCHEBACE1
Hydrochloric Acid SCHEMBL11098239 0.88 SIGMAR1 (0.72) SIGMAR1MAPK1ACHEBCHEBACE1
SCHEMBL2263432 0.86 KMT2A (0.55) SIGMAR1MAPK1ACHEBCHEBACE1
SCHEMBL3658594 0.85 BCHE (0.54) SIGMAR1MAPK1ACHEBCHEBACE1
SCHEMBL1813802 0.82 ALDH1A1 (0.55) SIGMAR1MAPK1ACHERAB9AMEN1
SCHEMBL1813803 0.82 ALDH1A1 (0.55) SIGMAR1MAPK1ACHERAB9AMEN1
SCHEMBL2315613 0.81 SIGMAR1 (1.00) SIGMAR1MAPK1
SCHEMBL7467264 0.80 ACHE (0.71) SIGMAR1ACHEBCHEBACE1MEN1
SCHEMBL30178567 0.80 ACHE (0.59) SIGMAR1ACHEBCHEBACE1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773789-A1 PROCESS FOR THE PREPARATION OF 3-(4-PIPERIDINYL)- 2,3,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-2(1H)-ON Boehringer Ingelheim International GmbH (DE) 2007-04-18 EP claimed
US-7141667-B2 3-(4-piperidinyl)-2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-28 US claimed
WO-2006010511-A1 METHOD FOR PRODUCING 3-(4-PIPERIDINYL)-2,3,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-2(1H)-ON BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 WO claimed
US-20060019946-A1 3-(4-Piperidinyl)-2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 US claimed
EP-1619187-A1 Process for the preparation of 3-(4-piperidinyl)- 2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-on Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-01-25 EP claimed
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-7141667-B2 3-(4-piperidinyl)-2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-28 US disclosed
US-20060019946-A1 3-(4-Piperidinyl)-2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 US disclosed
EP-1619187-A1 Process for the preparation of 3-(4-piperidinyl)- 2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-on Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-01-25 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 (4 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-20060019946-A1 3-(4-Piperidinyl)-2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-one HTR1A, HTR1D, HTR1B SIGMAR1 616/4885MAPK1 2673/4885ACHE 1182/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 SIGMAR1 327/4885MAPK1 2395/4885ACHE 367/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR SIGMAR1 352/4885MAPK1 2393/4885ACHE 287/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL SIGMAR1 907/4885MAPK1 1541/4885ACHE 699/4885

“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.