SCHEMBL2445371

SCHEMBL2445371

CN1CCN(c2nc(-c3ccccc3C(F)(F)F)cc(NC(=O)c3c(Cl)c(C(C)(C)C)nn3C)c2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.42
WDR5 P61964 3/20 0.37
SCN9A Q15858 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SIRT6 Q8N6T7 1/20 0.36
CYP3A4 P08684 3/20 0.36
MAPK1 P28482 2/20 0.36
CNR2 P34972 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
RORC P51449 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
SCHEMBL2446534 0.85 NPSR1 (0.47) NPSR1LMNASCN9APKMMEN1
SCHEMBL2450125 0.82 NPSR1 (0.46) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2451004 0.81 WDR5 (0.41) WDR5SCN9ACYP1A2CYP2C19CYP2D6
SCHEMBL2450124 0.79 NPSR1 (0.42) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2442222 0.76 NPSR1 (0.52) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2451920 0.76 NPSR1 (0.46) NPSR1LMNAPKMALDH1A1MEN1
SCHEMBL2444689 0.74 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6ALDH1A1MEN1
SCHEMBL2444826 0.73 ATR (0.37) NPSR1LMNASCN9AALDH1A1MEN1
SCHEMBL2442761 0.70 NPY5R (0.41) CYP1A2CYP2C19CYP2D6ALDH1A1MEN1
SCHEMBL2448316 0.69 NPY5R (0.45) CYP1A2CYP2C19CYP2D6ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 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-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 NPSR1 481/4885LMNA 3487/4885WDR5 786/4885

“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.