SCHEMBL1551563

SCHEMBL1551563

COC1(C#N)CCC(OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.55
OPRL1 P41146 2/20 0.55
DPP4 P27487 1/20 0.51
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSK P43235 2/20 0.49
SIGMAR1 Q99720 2/20 0.43
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NAAA Q02083 8/20 0.42
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL27377417 0.85 OPRM1 (0.51) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL27377408 0.83 OPRM1 (0.49) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL1551250 0.80 OPRM1 (0.61) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL23364768 0.80 OPRM1 (0.46) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL5402661 0.80 OPRM1 (0.62) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL420296 0.79 OPRM1 (0.53) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL7948472 0.78 DPP4 (0.58) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL14661931 0.77 OPRM1 (0.51) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL28093355 0.76 OPRM1 (0.50) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL22488577 0.74 OPRM1 (0.61) OPRM1OPRL1DPP4CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019916-A2 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2313374-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 OPRM1 3334/4885OPRL1 3312/4885DPP4 4592/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 OPRM1 3924/4885OPRL1 3630/4885DPP4 4764/4885

“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.