SCHEMBL3606601

SCHEMBL3606601

CCCCCCCC(=O)N1CCc2ccccc2C1C(=O)Nc1c(C(C)C)cc([N+](=O)[O-])cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 9/20 0.42
MTNR1B P49286 2/20 0.41
ACE P12821 2/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
GHSR Q92847 2/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL3604048 0.89 XIAP (0.49) XIAPMTNR1BACE
SCHEMBL3613659 0.88 XIAP (0.44) XIAPMTNR1BACEHTR1ADRD2
Hydrochloric Acid SCHEMBL3611807 0.87 XIAP (0.44) XIAPMTNR1BACEHTR1ADRD2
SCHEMBL3615625 0.85 GHSR (0.42) XIAPACEGHSR
SCHEMBL3596631 0.81 SOAT1 (0.44) XIAPMTNR1BGHSRRORC
SCHEMBL3607354 0.80 ACE (0.46) XIAPMTNR1BACERORC
SCHEMBL3607627 0.79 ACE (0.47) XIAPMTNR1BACERORC
SCHEMBL3608616 0.78 RORC (0.39) XIAPMTNR1BGHSRRORC
Hydrochloric Acid SCHEMBL3613026 0.77 RORC (0.38) XIAPMTNR1BGHSRRORC
SCHEMBL3596058 0.75 GHSR (0.43) MTNR1BGHSRRORC

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 XIAP 934/4885MTNR1B 2142/4885ACE 166/4885

“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.