SCHEMBL2269760

SCHEMBL2269760

COC(=O)C1(c2ccc(Nc3nc(N4CCOCC4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KARS1 Q15046 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SRC P12931 1/20 0.41

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
SCHEMBL2267049 0.98 TRPV1 (0.49) TRPV1KDM4EALDH1A1HPGDACHE
SCHEMBL2267786 0.98 TRPV1 (0.49) TRPV1KDM4EALDH1A1KARS1HPGD
SCHEMBL2268360 0.91 TRPV1 (0.46) TRPV1KDM4EALDH1A1HPGDACHE
SCHEMBL2267297 0.89 TRPV1 (0.44) TRPV1KDM4EALDH1A1HPGDACHE
SCHEMBL2273945 0.89 TRPV1 (0.46) TRPV1KARS1HTR2AHTR2C
SCHEMBL2268361 0.89 TRPV1 (0.46) TRPV1KDM4EALDH1A1HPGDACHE
SCHEMBL2268981 0.89 TRPV1 (0.46) TRPV1KDM4EALDH1A1HPGDACHE
SCHEMBL2269154 0.85 LMNA (0.42) TRPV1KDM4EALDH1A1KARS1HPGD
SCHEMBL2268284 0.84 KARS1 (0.42) TRPV1KARS1HTR2AHTR2CLMNA
SCHEMBL2268349 0.83 ACHE (0.44) KDM4EALDH1A1HPGDACHEPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO disclosed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — 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-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators GATAD2A, GATAD2B, RUNX1 TRPV1 3823/4885KDM4E 309/4885ALDH1A1 3621/4885

“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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