SCHEMBL1421994

SCHEMBL1421994

Brc1ccc(CCOCC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
ADRB2 P07550 1/20 0.45
GAA P10253 1/20 0.45
BLM P54132 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HTR2A P28223 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41

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
SCHEMBL1422064 0.81 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL21505015 0.81 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL3434728 0.81 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL1422359 0.81 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL4598273 0.81 IDO1 (0.47)
SCHEMBL8490584 0.81 SIGMAR1 (0.59) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL2515837 0.80 TAAR1 (0.54) HTR2ATAAR1
SCHEMBL7333026 0.79 ADRB1 (0.41) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL4621588 0.78 ADRB1 (0.43) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL1928007 0.78 TSHR (0.46) KMT2A

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-20130090385-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-11 US disclosed
US-8357721-B2 Therapy for diabetic retinopathy MERCK PATENT GMBH (DE) 2013-01-22 US disclosed
EP-1881960-B1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2011-03-23 EP disclosed
US-20080182906-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
EP-1881960-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2008-01-30 EP disclosed
WO-2006114190-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-11-02 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-20080182906-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP2 ADRB1 3019/4885LMNA 738/4885CYP2D6 2994/4885
US-20130090385-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS CASP10, CASP1, CASP2 ADRB1 3019/4885LMNA 738/4885CYP2D6 2994/4885

“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.