SCHEMBL1337014

SCHEMBL1337014

Cc1cc(CN(CC2CC2)C(=O)O)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TAS2R14 Q9NYV8 2/20 0.41
LPAR1 Q92633 6/20 0.40
LPAR5 Q9H1C0 6/20 0.40
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Hydrochloric Acid SCHEMBL1336121 0.98 PKM (0.41) PKMHDAC1HDAC6TAS2R14LPAR1
SCHEMBL3372477 0.77 HDAC1 (0.58) PKMHDAC1HDAC6TAS2R14LPAR1
SCHEMBL5722085 0.72 HDAC1 (0.53) PKMHDAC1HDAC6TAS2R14LPAR1
SCHEMBL5722086 0.72 HDAC1 (0.53) PKMHDAC1HDAC6TAS2R14LPAR1
SCHEMBL393116 0.71 HDAC1 (0.52) PKMHDAC1HDAC6TAS2R14LPAR1
SCHEMBL5030087 0.71 HDAC1 (0.52) PKMHDAC1HDAC6TAS2R14LPAR1
SCHEMBL21400325 0.70 HDAC1 (0.55) PKMHDAC1HDAC6LPAR1LPAR5
SCHEMBL8773484 0.70 HDAC1 (0.61) PKMHDAC1HDAC6LPAR1LPAR5
SCHEMBL1335570 0.68 HDAC1 (0.37) HDAC1MEN1KMT2A
Hydrochloric Acid SCHEMBL1665701 0.68 MEN1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 PKM 821/4885HDAC1 457/4885HDAC6 3176/4885

“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.