SCHEMBL1170105

SCHEMBL1170105

Brc1c2ccccc2nn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ SCN8A Q9UQD0 2/20 0.50
▸ PTGER4 P35408 4/20 0.48
▸ GRM2 Q14416 2/20 0.47
▸ SLC9A1 P19634 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ NR1H2 P55055 2/20 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
SCHEMBL1170095 0.81 SCN8A (0.50) CYP1A2SCN8APTGER4GRM2SLC9A1
SCHEMBL25247023 0.80 SCN8A (0.49) CYP1A2SCN8APTGER4GRM2SLC9A1
SCHEMBL5763004 0.77 MPO (0.46) SLC9A1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18096451 0.76 PTGER4 (0.47) CYP1A2SCN8APTGER4GRM2SLC9A1
SCHEMBL4494497 0.74 ALDH1A1 (0.53) CYP1A2SCN8APTGER4ALDH1A1CYP2C9
SCHEMBL1226080 0.73 CNR1 (0.58) CYP1A2SCN8APTGER4GRM2SLC9A1
SCHEMBL4485895 0.73 CYP1A2 (0.49) CYP1A2SCN8APTGER4GRM2ALDH1A1
SCHEMBL12266572 0.71 HTT (0.43) CYP1A2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL11394780 0.71 SCN8A (0.41) CYP1A2SCN8APTGER4GRM2SLC9A1
SCHEMBL4470865 0.71 PTGER4 (0.64) PTGER4

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-8519186-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype 1 (VR1) receptors ABBVIE INC. (US) 2013-08-27 — — US disclosed
EP-2012779-B1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LAB (US) 2012-05-16 — — EP disclosed
US-20110040102-A1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2011-02-17 — — US disclosed
US-7847104-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype1 (VR1) receptors ABBOTT LABORATORIES (US) 2010-12-07 — — US disclosed
EP-2012779-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS Abbott Laboratories (US) 2009-01-14 — — EP disclosed
WO-2007121339-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2007-10-25 — — WO disclosed
US-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors ABBVIE INC. 2007-10-18 — — 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 (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-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors UTS2R, VIPR1, VRK1 CYP1A2 805/4885SCN8A 437/4885PTGER4 877/4885
US-20110040102-A1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS UTS2R, VIPR1, VRK1 CYP1A2 822/4885SCN8A 410/4885PTGER4 841/4885

“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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