SCHEMBL8437758

SCHEMBL8437758

CN1CCCC(N(C)Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
KMT2A Q03164 1/20 0.52
OPRM1 P35372 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
SLC18A3 Q16572 1/20 0.47
LSS P48449 3/20 0.46
NAAA Q02083 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL26617983 0.91 KDM4E (0.57) SIGMAR1KMT2AOPRM1KDM4EALDH1A1
SCHEMBL20871938 0.88 KDM4E (0.62) SIGMAR1KMT2AOPRM1KDM4EALDH1A1
SCHEMBL8437462 0.85 SIGMAR1 (0.67) SIGMAR1OPRM1SLC18A3GRIN2B
SCHEMBL9965859 0.84 NAAA (0.55) SIGMAR1OPRM1KDM4EALDH1A1HRH3
SCHEMBL20281451 0.82 KMT2A (0.53) SIGMAR1KMT2AOPRM1HRH3HRH4
SCHEMBL29951372 0.82 SIGMAR1 (0.50) SIGMAR1KMT2AOPRM1KDM4EALDH1A1
SCHEMBL11251947 0.82 HRH3 (0.67) SIGMAR1OPRM1KDM4EALDH1A1HRH3
SCHEMBL17886958 0.81 KMT2A (0.49) SIGMAR1KMT2AOPRM1HRH3HRH4
SCHEMBL8258573 0.81 KMT2A (0.49) SIGMAR1KMT2AOPRM1HRH3HRH4
SCHEMBL8442356 0.81 KDM4E (0.68) SIGMAR1KMT2AOPRM1KDM4EALDH1A1

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
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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 (4 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885KMT2A 1797/4885OPRM1 1787/4885
US-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP SIGMAR1 344/4885KMT2A 3318/4885OPRM1 711/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP SIGMAR1 391/4885KMT2A 2232/4885OPRM1 1101/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885KMT2A 1797/4885OPRM1 1787/4885

“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.