SCHEMBL2268349

SCHEMBL2268349

COC(=O)C1(c2ccc(Nc3nc4c(c(N5CCOCC5)n3)CCC4)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ MERTK Q12866 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2265504 0.91 ACHE (0.47) ACHEMERTKSMN1; SMN2LMNATSHR
SCHEMBL2269760 0.83 TRPV1 (0.49) ACHELMNAPTGS2KDM4EALDH1A1
SCHEMBL2267786 0.81 TRPV1 (0.49) ACHEPTGS2KDM4EALDH1A1HPGD
SCHEMBL2267049 0.81 TRPV1 (0.49) ACHELMNAPTGS2KDM4EALDH1A1
SCHEMBL2265561 0.78 BRD4 (0.40) SMN1; SMN2LMNATSHRNR4A1MAPT
SCHEMBL2267413 0.77 EGFR (0.43) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL2274799 0.76 BRD4 (0.43) MERTKKMT2AAURKA
SCHEMBL2269300 0.76 LMNA (0.35) SMN1; SMN2LMNATSHRNR4A1MAPT
SCHEMBL2268360 0.74 TRPV1 (0.46) ACHELMNAPTGS2KDM4EALDH1A1
SCHEMBL2266566 0.73 PDE4B (0.40) SMN1; SMN2LMNATSHRNR4A1MAPT

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 ACHE 4830/4885MERTK 3538/4885SMN1; SMN2 4498/4885

“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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