SCHEMBL20359652

SCHEMBL20359652

ICCC1=Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
DRD3 P35462 2/20 0.51
HTR2B P41595 2/20 0.51
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PREP P48147 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 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
SCHEMBL577446 0.87 HTR1A (0.57) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL11767791 0.84 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL737837 0.83 HTR1A (0.54) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL20359709 0.82 HTR1A (0.54) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL3689438 0.82 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL7566441 0.82 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1539753 0.80 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL3696559 0.80 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL3611129 0.79 ACHE (0.49) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1451967 0.79 ACHE (0.51) HTR1AHTR2AHTR7DRD3HTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US 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-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS NTSR2, HTR3B, NTSR1 HTR1A 28/4885HTR2A 13/4885HTR7 21/4885

“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.