SCHEMBL846622

SCHEMBL846622

CC(C)(C)OC(=O)Nc1cc2ccccc2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
KDM4A O75164 1/20 0.42
ATR Q13535 1/20 0.42
BRD9 Q9H8M2 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
LCK P06239 2/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 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
SCHEMBL9381299 0.85 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL9378492 0.80 P2RX3 (0.39) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL6383953 0.78 HTT (0.49) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8074732 0.77 ATR (0.48) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL846832 0.76 TRPV1 (0.60) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL5194657 0.76 PTPN1 (0.59) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL31018064 0.76 CYP17A1 (0.43) ATRBRD9RXFP1LCK
SCHEMBL16069701 0.76 CYP17A1 (0.43) ATRBRD9RXFP1LCK
SCHEMBL358779 0.76 RXFP1 (0.44) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL28734163 0.75 KDM4E (0.48) MEN1KMT2ANPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885NPC1 1518/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885NPC1 1518/4885

“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.