SCHEMBL4038114

SCHEMBL4038114

COC(=O)C(C)(Cc1c[nH]c2ccc(OC(F)(F)F)cc12)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.51
▸ MTNR1A P48039 4/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL4038119 1.00 TRPV1 (0.51) TRPV1MTNR1AMEN1KMT2AFAAH
SCHEMBL3952437 0.90 MTNR1A (0.44) TRPV1MTNR1AMEN1KMT2AFAAH
SCHEMBL1008767 0.89 KDM4E (0.55) MTNR1AMEN1KMT2AFAAHKDM4E
SCHEMBL3945865 0.87 MEN1 (0.44) MTNR1AMEN1KMT2AFAAHKDM4E
SCHEMBL4033276 0.85 LTA4H (0.46) MTNR1AMEN1KMT2AFAAHKDM4E
SCHEMBL3951177 0.83 TRPV1 (0.54) TRPV1MTNR1AMEN1KMT2AKDM4E
SCHEMBL3951173 0.83 TRPV1 (0.54) TRPV1MTNR1AMEN1KMT2AKDM4E
SCHEMBL4036611 0.82 MEN1 (0.43) MTNR1AMEN1KMT2AFAAHKDM4E
SCHEMBL4036607 0.82 MEN1 (0.43) MTNR1AMEN1KMT2AFAAHKDM4E
SCHEMBL1081600 0.80 KDM4E (0.59) MTNR1AMEN1KMT2AFAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862354-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2021-08-11 — — EP disclosed
EP-2824105-B1 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2021-03-31 — — EP disclosed
EP-2824105-A1 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2015-01-14 — — EP disclosed
US-8530493-B2 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2013-09-10 — — US disclosed
US-20090246169-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS NYCOMED GMBH (DE) 2009-10-01 — — US disclosed
US-20090233902-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2009-09-17 — — US disclosed
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 — — EP disclosed
EP-1996592-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS Nycomed GmbH (DE) 2008-12-03 — — EP disclosed
EP-1994033-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2008-11-26 — — EP disclosed
WO-2007096393-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 — — WO disclosed
WO-2007096395-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 — — 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 (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-20090233902-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS KIF5A, KIF5C, KIF5B TRPV1 2934/4885MTNR1A 2631/4885MEN1 4082/4885
US-20090246169-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS KIF5A, KIF5C, KIF5B TRPV1 2934/4885MTNR1A 2631/4885MEN1 4082/4885

“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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