SCHEMBL12810690

SCHEMBL12810690

Cc1cc(NC(C)C)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
NR4A2 P43354 2/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH3 Q9ULD8 4/20 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
SCHEMBL25825932 0.85 NOS2 (0.54) TDP1TRPM8NR4A2LMNACYP1A2
SCHEMBL1425069 0.79 ALOX15 (0.38) TDP1LMNAALDH1A1ALOX15TSHR
SCHEMBL10024341 0.78 TDP1 (0.55) TDP1TRPM8LMNANPSR1ALDH1A1
SCHEMBL21227309 0.78 CRHBP (0.50) TDP1LMNACYP1A2CYP2C19NPSR1
SCHEMBL899063 0.76 SYK (0.39) TDP1LMNAALDH1A1L3MBTL1NOS3
SCHEMBL12410776 0.75 LMNA (0.52) TDP1LMNACYP1A2CYP2C19NPSR1
SCHEMBL10037144 0.75 NOS3 (0.59) TRPM8NR4A2LMNAALDH1A1NOS3
Hydrochloric Acid SCHEMBL899335 0.74 SYK (0.38) TDP1LMNAALDH1A1L3MBTL1NOS3
SCHEMBL18998887 0.74 TDP1 (0.46) TDP1TRPM8LMNANPSR1ALDH1A1
SCHEMBL11404383 0.74 TDP1 (0.46) TDP1TRPM8LMNAALDH1A1L3MBTL1

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TDP1 3836/4885TRPM8 4500/4885NR4A2 2808/4885

“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.