SCHEMBL14937795

SCHEMBL14937795

FC(F)(F)c1cc(C(F)(F)F)cc(C23CNCC2C3)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.54
SLC6A4 P31645 8/20 0.54
SLC6A3 Q01959 8/20 0.54
KCNH2 Q12809 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.51

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
SCHEMBL5283141 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL12313207 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL11911762 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10237767 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Hydrochloric Acid SCHEMBL21767825 0.88 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL12313165 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL11911745 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL2637713 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL3563911 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL2819451 0.83 KCNH2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 SLC6A2 3731/4885SLC6A4 4575/4885SLC6A3 4799/4885

“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.