SCHEMBL5468802

SCHEMBL5468802

CC1CCN(c2nc(C(F)(F)Cl)ccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AR P10275 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.40
▸ TRPV1 Q8NER1 9/20 0.40
▸ TSHR P16473 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL2162580 0.90 AR (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2163316 0.85 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2529790 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2533216 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2536977 0.80 RXFP1 (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2527319 0.79 HRH4 (0.61) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2525426 0.79 HRH4 (0.41) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2527531 0.77 TRPV1 (0.51) TRPV1
SCHEMBL2527894 0.76 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2528438 0.76 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 — — US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 — — US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 — — US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 — — US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 — — US disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 — — EP disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 — — EP disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 — — US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 — — US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 — — US disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 — — 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 MEN1 4313/4885KMT2A 4566/4885ALDH1A1 2444/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 MEN1 4313/4885KMT2A 4566/4885ALDH1A1 2444/4885

“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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