SCHEMBL3604484

SCHEMBL3604484

CCCCCCCC(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
XIAP P98170 2/20 0.44
ACE P12821 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MTNR1B P49286 2/20 0.43
TP53 P04637 1/20 0.40

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
SCHEMBL3611157 0.89 RORC (0.44) RORCALDH1A1KMT2AXIAPMTNR1B
SCHEMBL3617469 0.81 ACE (0.43) RORCXIAPACEMTNR1B
SCHEMBL3604413 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AXIAPTAS1R3TAS1R1
SCHEMBL3607354 0.80 ACE (0.46) RORCXIAPACEMTNR1BTP53
SCHEMBL3607627 0.79 ACE (0.47) RORCXIAPACEMTNR1BTP53
SCHEMBL3612165 0.79 ACE (0.50) ACEMTNR1B
SCHEMBL3604048 0.79 XIAP (0.49) XIAPACEMTNR1B
SCHEMBL3609218 0.78 ACE (0.70) ACEMTNR1B
SCHEMBL3613659 0.77 XIAP (0.44) RORCXIAPACEMTNR1B
SCHEMBL3600218 0.76 ACE (0.44) RORCKMT2AXIAPACEMTNR1B

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 RORC 488/4885ALDH1A1 88/4885KMT2A 343/4885

“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.