SCHEMBL3609847

SCHEMBL3609847

CCCCCC(=O)N1CCc2ccc(NC(=O)CN)cc2C1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 7/20 0.38
KDM4E B2RXH2 1/20 0.36
MTNR1B P49286 2/20 0.36
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
NAMPT P43490 1/20 0.35

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 0.87 NR1I2 (0.44) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3613865 0.86 NR1I2 (0.43) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3607627 0.84 ACE (0.47) NR1I2LMNAPOLBTSHRSMN1; SMN2
SCHEMBL3607354 0.83 ACE (0.46) NR1I2LMNAPOLBTSHRSMN1; SMN2
SCHEMBL3611794 0.83 NR1I2 (0.41) NR1I2LMNAPOLBTSHRSMN1; SMN2
SCHEMBL3600789 0.80 RORC (0.43) NR1I2RORCMTNR1BTP53
SCHEMBL3612619 0.79 GHSR (0.51)
SCHEMBL3611673 0.76 RORC (0.36) NR1I2POLBTSHRSMN1; SMN2RORC
SCHEMBL3616055 0.76 RORC (0.38) RORCMTNR1B
Hydrochloric Acid SCHEMBL3604710 0.74 RORC (0.36) RORCMTNR1BMAPK1TP53

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 634/4885LMNA 4557/4885POLB 1766/4885

“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.