SCHEMBL3613865

SCHEMBL3613865

CCCCCCCC(=O)N1CCc2ccc(O)cc2C1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 7/20 0.41
MTNR1B P49286 2/20 0.40
XIAP P98170 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3610767 0.99 NR1I2 (0.44) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3607354 0.90 ACE (0.46) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3611794 0.89 NR1I2 (0.41) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3607627 0.89 ACE (0.47) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3600789 0.88 RORC (0.43) NR1I2RORCMTNR1BTP53
SCHEMBL3609847 0.86 NR1I2 (0.39) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3596631 0.85 SOAT1 (0.44) RORCMTNR1BXIAP
SCHEMBL3612619 0.85 GHSR (0.51)
SCHEMBL3616236 0.84 RORC (0.39) RORCMTNR1BTP53
SCHEMBL3608616 0.82 RORC (0.39) RORCMTNR1BXIAP

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 2 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 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 NR1I2 634/4885POLB 1766/4885TSHR 4661/4885

“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.