SCHEMBL2266569

SCHEMBL2266569

COC(=O)C1(c2ccc(Nc3nc(CC4CCCC4)nc4c3CCC4)cc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KARS1 Q15046 1/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SLC22A12 Q96S37 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL2269536 0.85 PDE4B (0.38) PDE4BHRH3KARS1SMN1; SMN2LMNA
SCHEMBL2270382 0.83 PDE4B (0.38) PDE4BHRH3KARS1SMN1; SMN2LMNA
SCHEMBL2272841 0.81 SHMT2 (0.39) PDE4BKARS1SMN1; SMN2HTR2AHTR2C
SCHEMBL2268692 0.81 PDE4B (0.37) PDE4BHRH3KARS1SMN1; SMN2LMNA
SCHEMBL2266566 0.80 PDE4B (0.40) PDE4BKARS1SMN1; SMN2LMNATSHR
SCHEMBL2271101 0.78 PDE4B (0.41) PDE4BHRH3KARS1SMN1; SMN2LMNA
SCHEMBL2266542 0.78 PDE4B (0.50) PDE4BSMN1; SMN2LMNATSHRHTR2A
SCHEMBL2268687 0.78 BRD4 (0.38) PDE4BHRH3KARS1SMN1; SMN2LMNA
SCHEMBL2271739 0.77 PDE4B (0.61) PDE4B
SCHEMBL2267786 0.77 TRPV1 (0.49) KARS1HTR2AHTR2CALDH1A1TRPV1

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 5 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-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 1568/4885HRH3 2324/4885KARS1 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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