SCHEMBL3607627

SCHEMBL3607627

CCCCCC(=O)N1CCc2ccccc2C1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
XIAP P98170 4/20 0.46
NR1I2 O75469 1/20 0.44
MTNR1B P49286 2/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RORC P51449 4/20 0.42
TP53 P04637 2/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 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
SCHEMBL3607354 0.99 ACE (0.46) ACEXIAPNR1I2MTNR1BMAPT
SCHEMBL3610767 0.89 NR1I2 (0.44) XIAPNR1I2MTNR1BSMN1; SMN2POLB
SCHEMBL3613865 0.89 NR1I2 (0.43) XIAPNR1I2MTNR1BSMN1; SMN2POLB
SCHEMBL3609875 0.86 ACE (0.41) ACEXIAPMTNR1BRORC
SCHEMBL3611794 0.85 NR1I2 (0.41) XIAPNR1I2MTNR1BSMN1; SMN2POLB
SCHEMBL3612619 0.85 GHSR (0.51)
SCHEMBL3609847 0.84 NR1I2 (0.39) NR1I2MTNR1BSMN1; SMN2POLBTSHR
SCHEMBL3605762 0.84 XIAP (0.42) ACEXIAPNR1I2MAPTSMN1; SMN2
SCHEMBL3604048 0.83 XIAP (0.49) ACEXIAPMTNR1B
SCHEMBL3600789 0.82 RORC (0.43) NR1I2MTNR1BMAPTRORCTP53

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
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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 (1 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT ACE 166/4885XIAP 934/4885NR1I2 634/4885

“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.