SCHEMBL14945586

SCHEMBL14945586

CN1CCc2c(Cl)cc(Cl)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.49
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
CYP2D6 P10635 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
SLC6A4 P31645 1/20 0.41
DRD2 P14416 3/20 0.40
DRD1 P21728 3/20 0.40
DRD5 P21918 3/20 0.40
DRD3 P35462 2/20 0.36

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
SCHEMBL10082732 0.85 CYP2D6 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20180541 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL24462606 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL25840894 0.82 MAOA (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6294884 0.82 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL28587395 0.81 GABRA1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL18255794 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6369528 0.77 PNMT (0.54)
SCHEMBL28596005 0.77 MAOA (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30831089 0.76 PNMT (0.40) ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 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-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 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 (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 ADRA2A 911/4885ADRA2B 454/4885ADRA2C 961/4885
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ADRA2A 911/4885ADRA2B 454/4885ADRA2C 961/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 ADRA2A 74/4885ADRA2B 71/4885ADRA2C 54/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ADRA2A 911/4885ADRA2B 454/4885ADRA2C 961/4885

“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.