SCHEMBL3615470

SCHEMBL3615470

CCCCCC(=O)N1CCc2ccc(N3CCN(Cc4ccccc4)CC3)cc2C1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.47
TMEM97 Q5BJF2 9/20 0.45
SIGMAR1 Q99720 6/20 0.45
HTR1A P08908 2/20 0.43
CHRM5 P08912 2/20 0.43
ADRA1D P25100 2/20 0.43
HTR1B P28222 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HTR1D P28221 1/20 0.43
TSPO P30536 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL3611801 0.84 MTNR1B (0.44) MTNR1BMAPTSMN1; SMN2
SCHEMBL3601829 0.83 GHSR (0.44) TMEM97SIGMAR1MAPTLMNASMN1; SMN2
SCHEMBL3605947 0.82 TMEM97 (0.38) MTNR1BTMEM97SIGMAR1HTR1ACHRM5
SCHEMBL3607481 0.81 TMEM97 (0.37) MTNR1BTMEM97SIGMAR1HTR1ACHRM5
SCHEMBL3605570 0.78 MTNR1B (0.48) MTNR1BADRA1DADRA1AMAPT
SCHEMBL3606133 0.76 ACE (0.45) MTNR1BTMEM97SIGMAR1HRH1HTR2B
SCHEMBL3605484 0.75 MTNR1B (0.46) MTNR1BSIGMAR1MAPTLMNASMN1; SMN2
SCHEMBL3609218 0.69 ACE (0.70) MTNR1BDRD1
SCHEMBL3617388 0.69 MTNR1B (0.41) MTNR1BADRA1DADRA1AMAPT
SCHEMBL2131896 0.68 ALDH1A1 (0.60) HTR7LMNASMN1; SMN2

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 MTNR1B 2142/4885TMEM97 2230/4885SIGMAR1 1494/4885

“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.