SCHEMBL13173138

SCHEMBL13173138

Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccc(F)cc3)CC2)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.48
▸ KCNH2 Q12809 9/20 0.47
▸ CCR5 P51681 1/20 0.45
▸ GPR119 Q8TDV5 8/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ PRKAA2 P54646 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MLNR O43193 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL2841836 0.92 CCR3 (0.46) CCR3KCNH2CCR5GPR119MCHR1
SCHEMBL13173108 0.91 MCHR1 (0.46) KCNH2CCR5GPR119MCHR1LTA4H
SCHEMBL13173102 0.90 KCNH2 (0.53) CCR3KCNH2CCR5MCHR1POLB
SCHEMBL13173169 0.88 KCNH2 (0.50) CCR3KCNH2CCR5GPR119MCHR1
SCHEMBL13173152 0.87 CCR5 (0.47) KCNH2CCR5GPR119MCHR1PRKAA2
SCHEMBL13173159 0.87 KCNH2 (0.42) CCR3KCNH2CCR5GPR119MCHR1
SCHEMBL13354304 0.85 KCNH2 (0.46) CCR3KCNH2GPR119MCHR1LTA4H
SCHEMBL2840757 0.85 KCNH2 (0.43) CCR3KCNH2CCR5GPR119MCHR1
SCHEMBL13173132 0.83 KMT2A (0.48) KCNH2LTA4HKDM4E
SCHEMBL2847279 0.83 MCHR1 (0.45) KCNH2CCR5GPR119MCHR1LTA4H

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 CCR3 189/4885KCNH2 1878/4885CCR5 387/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 CCR3 236/4885KCNH2 843/4885CCR5 381/4885

“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.

Send feedback