SCHEMBL1337005

SCHEMBL1337005

O=C(O)N(Cc1ccncc1)C[C@@H]1CCCO1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ GPR55 Q9Y2T6 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ OXTR P30559 7/20 0.54
▸ AVPR1A P37288 6/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 1/20 0.48

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 SCHEMBL1336911 0.99 NPC1 (0.58) NPC1RAB9AGPR55MEN1KMT2A
SCHEMBL16059596 0.90 NPC1 (0.59) NPC1RAB9AGPR55MEN1KMT2A
SCHEMBL3566149 0.84 MAPT (0.53) MEN1KMT2AOXTRAVPR1AGAA
SCHEMBL14276865 0.80 NPC1 (0.50) NPC1RAB9AGPR55MEN1KMT2A
SCHEMBL3626959 0.75 POLB (0.47) OXTRAVPR1AGAAPOLB
SCHEMBL25379372 0.73 OXTR (0.54) MEN1KMT2AOXTRAVPR1AGAA
SCHEMBL20776699 0.72 OXTR (0.53) MEN1KMT2AOXTRAVPR1A
SCHEMBL335041 0.70 KMT2A (0.50) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL8320959 0.70 SMN1; SMN2 (0.49) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL334445 0.70 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAOXTR

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 6 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
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 — — WO 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
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 — — 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-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics GPR119, GLP1R, ADIPOR1 NPC1 2854/4885RAB9A 4619/4885GPR55 58/4885

“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.

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