SCHEMBL16225128

SCHEMBL16225128

NCC1COc2ccc(Cl)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MTNR1A P48039 2/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ALOX5 P09917 1/20 0.38
MAOB P27338 1/20 0.38
ROCK2 O75116 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ACLY P53396 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL10177540 0.84 HRH4 (0.43) HRH4HRH3MTNR1ACA2CA1
SCHEMBL9692474 0.81 TRPV1 (0.46) MTNR1ACA2ALOX5ROCK2HTR2A
Hydrochloric Acid SCHEMBL9692614 0.79 TRPV1 (0.45) MTNR1ACA2ALOX5ROCK2HTR2A
SCHEMBL21810889 0.78 HRH4 (0.39) HRH4HRH3CA2CA1MAOB
SCHEMBL431457 0.78 HRH4 (0.39) HRH4HRH3CA2CA1MAOB
SCHEMBL5227854 0.77 MTNR1A (0.63) HRH3MTNR1AALOX5POLBMAPT
Hydrochloric Acid SCHEMBL21811005 0.77 HRH4 (0.38) HRH4HRH3CA2CA1MAOB
Hydrochloric Acid SCHEMBL21811006 0.77 HRH4 (0.38) HRH4HRH3CA2CA1MAOB
SCHEMBL716596 0.76 SIGMAR1 (0.52) CA2MAOBACLYSIGMAR1
SCHEMBL5346519 0.75 MTNR1A (0.70) MTNR1AROCK2POLBMAPTACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 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 (1 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-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 HRH4 344/4885HRH3 933/4885MTNR1A 595/4885

“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.