SCHEMBL2273945

SCHEMBL2273945

COC(=O)C1(c2ccc(Nc3nc(N4CCC(F)(F)CC4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.46
▸ WHR1 P49842 1/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ KARS1 Q15046 1/20 0.42
▸ IGF1R P08069 3/20 0.40
▸ ROCK2 O75116 1/20 0.38

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
SCHEMBL2267381 0.91 TRPV1 (0.47) TRPV1WHR1HTR2AHTR2CKARS1
SCHEMBL2269760 0.89 TRPV1 (0.49) TRPV1HTR2AHTR2CKARS1
SCHEMBL2267786 0.87 TRPV1 (0.49) TRPV1HTR2AHTR2CKARS1
SCHEMBL2267049 0.87 TRPV1 (0.49) TRPV1HTR2AHTR2C
SCHEMBL2268284 0.84 KARS1 (0.42) TRPV1HTR2AHTR2CKARS1IGF1R
SCHEMBL2266722 0.82 IGF1R (0.45) TRPV1HTR2AHTR2CKARS1IGF1R
SCHEMBL2266566 0.81 PDE4B (0.40) TRPV1KARS1ROCK2
SCHEMBL2271101 0.79 PDE4B (0.41) TRPV1KARS1
SCHEMBL2268360 0.79 TRPV1 (0.46) TRPV1HTR2AHTR2C
SCHEMBL2267772 0.79 TRPV1 (0.46) TRPV1HTR2AHTR2CKARS1IGF1R

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 TRPV1 3823/4885WHR1 3482/4885HTR2A 2277/4885

“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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