SCHEMBL2269536

SCHEMBL2269536

COC(=O)C1(c2ccc(Nc3nc(C4CCCC4)nc4c3CCC4)cc2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.38
▸ TRPV1 Q8NER1 4/20 0.37
▸ KARS1 Q15046 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ EP300 Q09472 3/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CHRM3 P20309 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
SCHEMBL2270382 0.98 PDE4B (0.38) PDE4BTRPV1KARS1HRH3LMNA
SCHEMBL2267763 0.89 PDE4B (0.41) PDE4BTRPV1KARS1TSHRPDE5A
SCHEMBL2267824 0.87 PDE4B (0.41) PDE4BTRPV1KARS1PDE5ASLC22A12
SCHEMBL2266569 0.85 PDE4B (0.39) PDE4BTRPV1KARS1HRH3LMNA
SCHEMBL2272841 0.83 SHMT2 (0.39) PDE4BTRPV1KARS1SMN1; SMN2SYK
SCHEMBL2266566 0.82 PDE4B (0.40) PDE4BTRPV1KARS1LMNATSHR
SCHEMBL2271101 0.80 PDE4B (0.41) PDE4BTRPV1KARS1HRH3LMNA
SCHEMBL2266542 0.80 PDE4B (0.50) PDE4BLMNATSHRSMN1; SMN2HTR2A
SCHEMBL2268687 0.79 BRD4 (0.38) PDE4BTRPV1KARS1HRH3LMNA
SCHEMBL2268692 0.79 PDE4B (0.37) PDE4BTRPV1KARS1HRH3LMNA

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 7 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

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 PDE4B 1568/4885TRPV1 3823/4885KARS1 2108/4885

“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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