SCHEMBL688047

SCHEMBL688047

c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.77
HRH3 Q9Y5N1 3/20 0.77
HRH4 Q9H3N8 1/20 0.68
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 1/20 0.65
MC4R P32245 1/20 0.63
DRD4 P21917 1/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL8327 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL26532 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL11585348 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL11141692 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7409551 0.98 SIGMAR1 (0.74) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4774633 0.98 SIGMAR1 (0.74) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Bromide SCHEMBL10730905 0.98 SIGMAR1 (0.74) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL13952 0.98 SIGMAR1 (0.81) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL1777747 0.98 SIGMAR1 (0.81) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5923800 0.96 SIGMAR1 (0.71) SIGMAR1HRH3HRH4CYP2D6CYP2C19

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 315 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
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US claimed
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO claimed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP claimed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN claimed
EP-0161588-B1 DIAMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 1990-08-16 EP claimed
EP-0157260-B1 4,7-DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1990-06-13 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
US-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 US claimed
EP-0238211-A2 Dihydropyridines, process for their preparation and their use as medicaments GLAXO S.p.A. (IT) 1987-09-23 EP 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 (3 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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT SIGMAR1 3444/4885HRH3 309/4885HRH4 398/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT SIGMAR1 3444/4885HRH3 309/4885HRH4 398/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT SIGMAR1 3444/4885HRH3 309/4885HRH4 398/4885

“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.