SCHEMBL13173159

SCHEMBL13173159

Cc1nc(OCC(=O)N(C)C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)nc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.42
▸ GPR119 Q8TDV5 9/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ CCR5 P51681 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SSTR5 P35346 2/20 0.37
▸ POLB P06746 1/20 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
SCHEMBL2846152 0.92 KCNH2 (0.41) KCNH2GPR119MCHR1CCR3ALDH1A1
SCHEMBL13173138 0.87 CCR3 (0.48) KCNH2GPR119MCHR1CCR3LTA4H
SCHEMBL2849184 0.85 KCNH2 (0.40) KCNH2GPR119MCHR1CCR3ALDH1A1
SCHEMBL13173102 0.85 KCNH2 (0.53) KCNH2MCHR1CCR3ALDH1A1CCR5
SCHEMBL13173108 0.84 MCHR1 (0.46) KCNH2GPR119MCHR1LTA4HCCR5
SCHEMBL13173158 0.82 KCNH2 (0.52) KCNH2GPR119MCHR1ALDH1A1POLB
SCHEMBL13173169 0.82 KCNH2 (0.50) KCNH2GPR119MCHR1CCR3LTA4H
SCHEMBL13173148 0.81 ALDH1A1 (0.54) MCHR1ALDH1A1CCR5MEN1KMT2A
SCHEMBL13173132 0.81 KMT2A (0.48) KCNH2ALDH1A1LTA4HKMT2A
SCHEMBL13173152 0.81 CCR5 (0.47) KCNH2GPR119MCHR1ALDH1A1LTA4H

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-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 — — US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 — — US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 — — 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 (2 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF KCNH2 1878/4885GPR119 625/4885MCHR1 3250/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885GPR119 567/4885MCHR1 3774/4885

“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.

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