SCHEMBL3605947

SCHEMBL3605947

CCCCCC(=O)N1CCc2ccc(N3CCN(Cc4ccccc4)CC3)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.38
SIGMAR1 Q99720 6/20 0.38
HTR1A P08908 2/20 0.37
CHRM5 P08912 2/20 0.37
ADRA1D P25100 2/20 0.37
HTR1B P28222 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1E P28566 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HTR1D P28221 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
SCHEMBL3607481 0.90 TMEM97 (0.37) TMEM97SIGMAR1HTR1ACHRM5ADRA1D
SCHEMBL3603783 0.87 RORC (0.34) SOAT2ACAT1SOAT1MTNR1B
SCHEMBL3608262 0.86 TP53 (0.35) SOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3608979 0.86 MAPT (0.39) SOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3607538 0.86 RORC (0.34) SOAT2ACAT1SOAT1MTNR1B
SCHEMBL3616236 0.83 RORC (0.39) SOAT2ACAT1SOAT1MTNR1B
SCHEMBL3617469 0.83 ACE (0.43) SOAT2ACAT1SOAT1MTNR1B
SCHEMBL3615470 0.82 MTNR1B (0.47) TMEM97SIGMAR1HTR1ACHRM5ADRA1D
SCHEMBL3607582 0.82 RORC (0.37) SOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3611410 0.81 RORC (0.36) SOAT2ACAT1SOAT1MTNR1B

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 TMEM97 2230/4885SIGMAR1 1494/4885HTR1A 4713/4885

“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.