SCHEMBL3215049

SCHEMBL3215049

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.49
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 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
SCHEMBL2256831 0.89 TRPV1 (0.52) TRPV1P2RX7TGFBR1
SCHEMBL2258903 0.88 TRPV1 (0.47) TRPV1P2RX7TGFBR1
SCHEMBL2256515 0.88 TRPV1 (0.47) TRPV1P2RX7TGFBR1SMN1; SMN2
SCHEMBL12361543 0.88 RAB9A (0.51) TRPV1LMNATGFBR1HPGDGAA
SCHEMBL2261025 0.88 TRPV1 (0.47) TRPV1P2RX7TGFBR1
SCHEMBL2255449 0.86 NPSR1 (0.51) TRPV1P2RX7
SCHEMBL2260645 0.86 TRPV1 (0.49) TRPV1LMNAP2RX7SMN1; SMN2
SCHEMBL2256816 0.86 POLB (0.47) TRPV1MAPTP2RX7TGFBR1SMN1; SMN2
SCHEMBL2259904 0.86 MAPT (0.45) TRPV1LMNAMAPTP2RX7TGFBR1
SCHEMBL2257718 0.86 TRPV1 (0.49) TRPV1LMNATGFBR1HPGD

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-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — 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 (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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 TRPV1 1100/4885LMNA 2267/4885MAPT 4713/4885

“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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