SCHEMBL13380

SCHEMBL13380

O=C(NC1CCCCC1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
POLB P06746 4/20 0.70
HSD17B10 Q99714 1/20 0.70
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL8392088 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8396675 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL679199 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8395096 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL25708013 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27819236 0.98 HTT (0.96) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8391614 0.98 HTT (0.96) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL4397011 0.96 HTT (0.92) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8393766 0.96 HTT (0.92) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8393313 0.93 HTT (0.88) HTTPOLBHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
EP-3191489-B1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-06 EP disclosed
WO-2018041091-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-03-08 WO disclosed
WO-2018033082-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-22 WO disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
EP-2442809-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2016-08-31 EP disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 WO disclosed
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed
WO-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-06-21 WO disclosed
US-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 HTT 2799/4885POLB 1763/4885HSD17B10 2865/4885
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER DPYD, DHFR, TYMP HTT 3636/4885POLB 150/4885HSD17B10 3356/4885

“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.