SCHEMBL1325236

SCHEMBL1325236

ON=C(Cc1c[nH]c2ccc(F)cc12)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ GPR84 Q9NQS5 2/20 0.56
▸ MPO P05164 14/20 0.54
▸ HTR2A P28223 2/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ HTR1A P08908 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC6A4 P31645 4/20 0.49
▸ HTR2C P28335 1/20 0.48

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
SCHEMBL1325234 1.00 TSHR (0.59) TSHRGPR84MPOHTR2ATRPM8
SCHEMBL3567795 0.81 MEN1 (0.51) TSHRGPR84MPOHTR2AKMT2A
SCHEMBL13316003 0.81 MEN1 (0.51) TSHRGPR84MPOHTR2AKMT2A
SCHEMBL3567792 0.81 MEN1 (0.51) TSHRGPR84MPOHTR2AKMT2A
SCHEMBL2260803 0.75 TSHR (1.00) TSHRGPR84MPOHTR2ATRPM8
SCHEMBL14663385 0.74 GPR84 (0.69) TSHRGPR84MPOHTR2ATRPM8
SCHEMBL1722756 0.74 GPR84 (0.73) TSHRGPR84MPOHTR2ATRPM8
SCHEMBL20388709 0.74 TSHR (0.75) TSHRGPR84MPOHTR2ATRPM8
Hydrochloric Acid SCHEMBL1372337 0.74 TSHR (0.97) TSHRGPR84MPOHTR2ATRPM8
SCHEMBL2177075 0.74 TSHR (0.75) TSHRGPR84MPOHTR2ATRPM8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722333-A1 Spiro-indole derivatives for the treatment of parasitic diseases. Novartis AG (CH) 2014-04-23 — — EP disclosed
EP-2285808-B1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2013-11-20 — — EP disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 — — US disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 — — US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 — — US disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 — — US 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 (2 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-20090275560-A1 ORGANIC COMPOUNDS OTC, PC, OAT TSHR 4271/4885GPR84 3128/4885MPO 97/4885
US-20110275613-A1 ORGANIC COMPOUNDS OTC, PC, OAT TSHR 4260/4885GPR84 3092/4885MPO 97/4885

“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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