SCHEMBL4079555

SCHEMBL4079555

NCCCC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 2/20 0.42
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
GNAO1 P09471 3/20 0.38
SLC6A4 P31645 2/20 0.38
FAAH O00519 1/20 0.36
GBA1 P04062 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAI1 P63096 2/20 0.33
NAMPT P43490 1/20 0.33
RAD52 P43351 1/20 0.33

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 SCHEMBL3668452 0.98 SIGMAR1 (0.46) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL3389547 0.93 SIGMAR1 (0.58) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21799827 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21799702 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL10597459 0.91 SIGMAR1 (0.56) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21800083 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21799588 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21799990 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21800014 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1
SCHEMBL21799575 0.91 SIGMAR1 (0.61) SIGMAR1HRH3ITGB3ITGA2BGNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US claimed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP claimed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP claimed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO claimed
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
WO-2023104744-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2023-06-15 WO disclosed
CN-114014845-B Epoxy group-containing compound, liquid crystal aligning agent, and preparation method and application thereof 波米科技有限公司 2023-06-02 CN disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
WO-2023038500-A1 COMPOUND FOR DEGRADING ENL PROTEIN AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-03-16 WO disclosed
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
WO-2022125862-A1 PROCESSES FOR THE PREPARATION OF ZANUBRUTINIB AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2022-06-16 WO disclosed
CN-114014845-A Epoxy group-containing compound, liquid crystal aligning agent, and preparation method and application thereof 波米科技有限公司 2022-02-08 CN disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US disclosed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed
US-4871374-A REACTION PRODUCT OF ALDEHYDE OR KETONE WITH A HETEROCYCLIC POLYAMINE PETROLITE CORPORATION (US) 1989-10-03 US disclosed
US-4220764-A Preparation of tertiary heterocyclic amines UOP INC. (US) 1980-09-02 US disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US disclosed
US-4079059-A ANTIMICROBIAL, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-03-14 US disclosed
US-4033748-A MICROBIOCIDES MERCK & CO., INC. (US) 1977-07-05 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 (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-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH SIGMAR1 2723/4885HRH3 956/4885ITGB3 1814/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 SIGMAR1 1815/4885HRH3 3286/4885ITGB3 3645/4885

“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.