SCHEMBL1013096

SCHEMBL1013096

c1ccc(COC2N(c3ccccc3)CCN2c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TACR1 P25103 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSV O60911 1/20 0.39
CTSS P25774 1/20 0.39
CTSC P53634 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
SCHEMBL27542801 0.79 TSHR (0.41) CYP2C19CTSLCTSBCTSKTMEM97
SCHEMBL28209265 0.76 HRH3 (0.40) CYP2C19CTSLCTSBCTSKSLC6A2
SCHEMBL1011972 0.76 TACR1 (0.43) CYP2C19CTSLCTSBCTSKTMEM97
SCHEMBL1010855 0.72 MAPT (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL27807733 0.72 ESR1 (0.39) CYP2C19CTSLCTSBCTSKSLC6A2
SCHEMBL27807763 0.72 CARM1 (0.40) CYP2C19CTSLCTSBCTSKSLC6A2
SCHEMBL27458746 0.72 CYP2C19 (0.40) CYP2C19CTSLCTSBCTSKSLC6A2
SCHEMBL28301553 0.71 PSEN1 (0.39) CYP2C19CTSLCTSBCTSKSLC6A2
SCHEMBL6099668 0.68 TSHR (0.46) CYP2C19CTSLCTSBCTSKSIGMAR1
SCHEMBL9668731 0.68 MAPT (0.52) SLC6A2SLC6A4SLC6A3SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372844-B1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2011-01-05 EP disclosed
US-6838489-B2 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor CYMETECH, LLC (US) 2005-01-04 US disclosed
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-07-31 US disclosed
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-05-01 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-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 CYP2C19 785/4885CTSL 3912/4885CTSB 1433/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 CYP2C19 785/4885CTSL 3912/4885CTSB 1433/4885

“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.