SCHEMBL15445349

SCHEMBL15445349

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.45
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL22583597 0.87 PNMT (0.42) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL21413286 0.86 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL4546559 0.86 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL20703506 0.85 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Lithium SCHEMBL30831167 0.85 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL28978402 0.85 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL30864391 0.85 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL10129638 0.84 PNMT (0.42) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL23422078 0.83 PNMT (0.41) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL29183920 0.81 ADORA1 (0.49) PNMT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-9708303-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARCODE BIOSCIENCE INC. (US) 2017-07-18 US disclosed
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2015-11-26 US disclosed
US-9085553-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARcode Bioscience, Inc. (US) 2015-07-21 US disclosed
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 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 (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-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 PNMT 1603/4885HTR2A 4155/4885HTR2C 4501/4885
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 PNMT 1603/4885HTR2A 4155/4885HTR2C 4501/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 PNMT 1603/4885HTR2A 4155/4885HTR2C 4501/4885

“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.