SCHEMBL15445351

SCHEMBL15445351

Oc1c(Cl)cc2c(c1Cl)CCNC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.51
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
HTR2B P41595 4/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD2 P14416 1/20 0.42
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 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
SCHEMBL28978402 0.79 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL4546559 0.77 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL21413286 0.77 PNMT (0.46) PNMTHTR2AHTR2CHTR2BADRA2A
Lithium SCHEMBL30831167 0.76 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL20703506 0.76 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL30864391 0.76 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL15445349 0.76 PNMT (0.45) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL12651398 0.75 PNMT (0.47) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL22993478 0.73 HTR2A (0.50) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL3095722 0.72 PNMT (0.71) PNMTHTR2BADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 US disclosed
EP-3715345-A2 PREPARATION OF LFA-1 INHIBITOR AND POLYMORPH THEREOF Novartis AG (CH) 2020-09-30 EP disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US 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-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-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-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
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 US disclosed
WO-2014018748-A1 LFA-1 INHIBITOR AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 WO 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 (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-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-10906892-B2 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.