Sugi Predict

Sugi Predict / Compounds / SCHEMBL10129638

SCHEMBL10129638

SCHEMBL10129638

COC(=O)c1c(Cl)cc2c(c1Cl)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 7/20 0.42
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ ATR Q13535 1/20 0.34

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 SCHEMBL23422078 0.99 PNMT (0.41) PNMTCHRM3HTR2AHTR2CHTR2B
SCHEMBL29183920 0.85 ADORA1 (0.49) PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL15445349 0.84 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL4546559 0.82 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL21413286 0.82 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL30864391 0.81 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Lithium SCHEMBL30831167 0.81 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL20703506 0.81 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL28978402 0.81 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL10168223 0.80 TOP2A (0.37) PNMTHTR2AHTR2CHTR2BHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112272665-B Process for preparing ritalst 欧伦股份公司 2024-07-12 — — CN disclosed
EP-3807268-B1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON SPA (IT) 2024-01-24 — — EP disclosed
CN-115707698-A 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-formamide compound, and preparation method and application thereof 辽宁何氏医学院 2023-02-21 — — CN disclosed
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST YONSUNG FINE CHEMICAL CO., LTE, (KR) 2023-01-26 — — US disclosed
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.P.A. (IT) 2021-08-12 — — US disclosed
WO-2021107514-A2 METHOD FOR PREPARING LIFITEGRAST 연성정밀화학(주) 2021-06-03 — — WO disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 — — US disclosed
CN-112272665-A Process for preparing sitagliptin 欧伦股份公司 2021-01-26 — — CN disclosed
EP-3715345-A2 PREPARATION OF LFA-1 INHIBITOR AND POLYMORPH THEREOF Novartis AG (CH) 2020-09-30 — — EP disclosed
WO-2019186520-A1 A PROCESS FOR THE PREPARATION OF LIFITEGRAST AUROBINDO PHARMA LIMITED (IN) 2019-10-03 — — WO disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — 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 (6 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PNMT 2275/4885CHRM3 518/4885HTR2A 2551/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PNMT 2275/4885CHRM3 518/4885HTR2A 2551/4885
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST LPXN, CSF3R, LIFR PNMT 4162/4885CHRM3 3506/4885HTR2A 1677/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PNMT 2324/4885CHRM3 519/4885HTR2A 2618/4885
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, FLT3, F12 PNMT 3475/4885CHRM3 1384/4885HTR2A 3050/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PNMT 2324/4885CHRM3 533/4885HTR2A 2597/4885

“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.