SCHEMBL2272846

SCHEMBL2272846

N#CC1(c2ccc(Nc3nc(N4CCOCC4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HPGD P15428 1/20 0.41
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ IGF1R P08069 2/20 0.39

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
SCHEMBL2270955 0.82 TRPV1 (0.44) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2268360 0.82 TRPV1 (0.46) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2269663 0.80 TRPV1 (0.44) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2267297 0.80 TRPV1 (0.44) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2269760 0.80 TRPV1 (0.49) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2268981 0.80 TRPV1 (0.46) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2268361 0.80 TRPV1 (0.46) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2267049 0.78 TRPV1 (0.49) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2267786 0.78 TRPV1 (0.49) TRPV1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL2269154 0.77 LMNA (0.42) TRPV1KDM4EALDH1A1HPGDIGF1R

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
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US claimed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US claimed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO claimed
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 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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