SCHEMBL4040707

SCHEMBL4040707

O=C(O)[C@@H]1NC2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 2/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ PKM P14618 1/20 0.39
▸ BLM P54132 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ CTSC P53634 7/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL21151866 1.00 SLC1A2 (0.42) SLC1A2SLC1A1PKMBLMCYP2D6
SCHEMBL12437619 1.00 SLC1A2 (0.42) SLC1A2SLC1A1PKMBLMCYP2D6
SCHEMBL29952931 1.00 SLC1A2 (0.42) SLC1A2SLC1A1PKMBLMCYP2D6
SCHEMBL6480162 1.00 SLC1A2 (0.42) SLC1A2SLC1A1PKMBLMCYP2D6
SCHEMBL6479236 1.00 SLC1A2 (0.42) SLC1A2SLC1A1PKMBLMCYP2D6
SCHEMBL993042 1.00 SLC1A2 (0.42) SLC1A2SLC1A1PKMBLMCYP2D6
Hydrochloric Acid SCHEMBL11149903 0.98 SLC1A2 (0.41) SLC1A2SLC1A1PKMBLMCYP2D6
Hydrochloric Acid SCHEMBL8385290 0.98 SLC1A2 (0.41) SLC1A2SLC1A1PKMBLMCYP2D6
Hydrochloric Acid SCHEMBL2157333 0.98 SLC1A2 (0.41) SLC1A2SLC1A1PKMBLMCYP2D6
Hydrochloric Acid SCHEMBL19064846 0.98 SLC1A2 (0.41) SLC1A2SLC1A1PKMBLMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 — — EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 — — WO disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 — — US disclosed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 — — EP disclosed
EP-1463728-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-06 — — EP disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 — — US disclosed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 — — US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 — — EP disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 — — 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 (2 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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 SLC1A2 4718/4885SLC1A1 4601/4885PKM 2859/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 SLC1A2 4718/4885SLC1A1 4601/4885PKM 2859/4885

“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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