SCHEMBL4776281

SCHEMBL4776281

O=C(Nc1ccccc1)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
POLB P06746 1/20 0.69
KDM4E B2RXH2 2/20 0.67
RAB9A P51151 5/20 0.66
NPC1 O15118 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
NPSR1 Q6W5P4 2/20 0.65
RECQL P46063 1/20 0.65
FAAH O00519 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
TGM2 P21980 1/20 0.62

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
SCHEMBL4051171 0.98 RAB9A (0.69) CYP2C9CYP2C19POLBKDM4ERAB9A
SCHEMBL420582 0.98 RAB9A (0.69) CYP2C9CYP2C19POLBKDM4ERAB9A
Hydrochloric Acid SCHEMBL7128759 0.98 POLB (0.72) CYP2C9CYP2C19POLBKDM4ERAB9A
SCHEMBL570715 0.96 CYP2C9 (0.71) CYP2C9CYP2C19POLBKDM4ERAB9A
SCHEMBL10729724 0.92 KDM4E (0.77) CYP2C9CYP2C19POLBKDM4EKMT2A
SCHEMBL2897923 0.92 KDM4E (0.77) CYP2C9CYP2C19POLBKDM4EKMT2A
Trifluoroacetic Acid SCHEMBL18050103 0.90 KMT2A (0.59) CYP2C9CYP2C19POLBKDM4ERAB9A
SCHEMBL20236166 0.86 KDM4E (0.70) CYP2C9CYP2C19POLBKDM4EKMT2A
SCHEMBL11181938 0.85 GAA (0.58) CYP2C9CYP2C19POLBKDM4ERAB9A
SCHEMBL311835 0.85 SMN1; SMN2 (0.66) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO claimed
CN-117383994-A Preparation method of asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-01-12 CN disclosed
US-20230295236-A1 COMPOUNDS FOR USE IN INFLAMMATORY CONDITIONS PHARMA MAR, S.A. (ES) 2023-09-21 US disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed
EP-3277677-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2018-02-07 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO 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
US-5283362-A Reacting with an amine, terminating the reaction before the formation of by-product CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1994-02-01 US disclosed
US-4128643-A 4-Quinazolinyl-guanidines HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed
US-4065291-A Herbicidal 1-(2-hydroxymethylpyrrolidinyl) carboxanilides CHEVRON RESEARCH COMPANY (US) 1977-12-27 US disclosed
US-3778247-A METHOD FOR REGULATING PLANT GROWTH RICERCA, INC., 7528 AUBURN ROAD, CONCORD TOWNSHIP, PAINESVILLE, OHIO 44077 1973-12-11 US 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-20230295236-A1 COMPOUNDS FOR USE IN INFLAMMATORY CONDITIONS TLR4, TLR3, TLR2 CYP2C9 4080/4885CYP2C19 3471/4885POLB 3588/4885
US-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 CYP2C9 1744/4885CYP2C19 2070/4885POLB 264/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CYP2C9 4775/4885CYP2C19 4820/4885POLB 2779/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CYP2C9 4775/4885CYP2C19 4820/4885POLB 2779/4885

“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.