SCHEMBL1336864

SCHEMBL1336864

O=C(O)N(Cc1ccncc1)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TYK2 P29597 2/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
PDK1 Q15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL1336769 0.80 TRPM8 (0.45) TRPM8CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1336106 0.76 BCL2A1 (0.50) SMN1; SMN2ALDH1A1JAK2NPSR1TSHR
SCHEMBL1336955 0.75 BCL2A1 (0.49) SMN1; SMN2ALDH1A1PDK1TSHRGAA
SCHEMBL1336855 0.74 TSHR (0.49) TRPM8CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1336094 0.73 TSPO (0.46) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL1336812 0.73 LMNA (0.48) CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL15066576 0.70 TSHR (0.40) TRPM8SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1336782 0.70 GAA (0.60) TRPM8CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15066989 0.70 TSHR (0.40) TRPM8SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL15067622 0.70 TSHR (0.40) TRPM8SMN1; SMN2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP 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-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics GPR119, GLP1R, ADIPOR1 TRPM8 974/4885CYP3A4 2143/4885CYP2C9 3272/4885

“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.