SCHEMBL688048

SCHEMBL688048

[CH]1CCCCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MC4R P32245 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL1514871 0.94 SIGMAR1 (0.50) SIGMAR1L3MBTL1SLC6A3ALDH1A1HRH3
SCHEMBL2228270 0.83 SIGMAR1 (0.56) SIGMAR1ALDH1A1MC4RDRD4LMNA
SCHEMBL2208144 0.81 HRH3 (0.46) L3MBTL1ALDH1A1HRH3MEN1KMT2A
SCHEMBL6731660 0.81 ALDH1A1 (0.42) ALDH1A1HRH3NPC1LMNAPOLB
SCHEMBL4054826 0.81 SLC6A3 (0.58) SIGMAR1SLC6A3HRH3NPC1TDP1
SCHEMBL9820948 0.78 SIGMAR1 (0.55) SIGMAR1SLC6A3HRH3POLB
SCHEMBL9442022 0.77 SIGMAR1 (0.60) SIGMAR1SLC6A3HRH3MEN1TSHR
SCHEMBL7996022 0.76 ALDH1A1 (0.52) SIGMAR1ALDH1A1HRH3MEN1KMT2A
SCHEMBL1218769 0.74 SIGMAR1 (0.47) SIGMAR1L3MBTL1SLC6A3ALDH1A1HRH3
SCHEMBL5652798 0.74 SIGMAR1 (0.47) SIGMAR1ALDH1A1MC4RDRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384031-B1 None US claimed
US-6392040-B1 None US claimed
CN-110248939-B Tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2022-05-17 CN claimed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US claimed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP claimed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US claimed
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO claimed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US claimed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP claimed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US claimed
EP-0353692-A2 Drug effect-enhancing agent for antitumor drug NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-02-07 EP claimed
US-4895842-A Phenylalanine derivative and proteinase inhibitor SHOSUKE OKAMOTO (JP) 1990-01-23 US claimed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US claimed
EP-0135349-B1 CONDENSED SEVEN-MEMBERED RING COMPOUNDS AND THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1988-11-02 EP claimed
US-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 US claimed
US-4709010-A TREATING OR PREVENTING HYPERTENSION OR HYPERALDESTERONISM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-11-24 US claimed
EP-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 EP claimed
EP-0179352-A2 Peptides MERCK PATENT GmbH (DE) 1986-04-30 EP claimed
EP-0161588-A2 Diamino acid derivatives MERCK PATENT GmbH (DE) 1985-11-21 EP claimed
EP-0157260-A1 4,7-Dihydropyrazolo(3,4-b)Pyridine derivatives SHIONOGI & CO., LTD. (JP) 1985-10-09 EP claimed

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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 SIGMAR1 1965/4885L3MBTL1 4849/4885SLC6A3 669/4885
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT SIGMAR1 3444/4885L3MBTL1 4317/4885SLC6A3 4744/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT SIGMAR1 3444/4885L3MBTL1 4317/4885SLC6A3 4744/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT SIGMAR1 3444/4885L3MBTL1 4317/4885SLC6A3 4744/4885

“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.