SCHEMBL20358752

SCHEMBL20358752

O=C(CCCN1CCc2ccccc2C1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 1.00
DRD2 P14416 10/20 1.00
HTR7 P34969 10/20 1.00
DRD3 P35462 10/20 1.00
HTR2B P41595 10/20 1.00
HTR2A P28223 9/20 1.00
HRH1 P35367 8/20 1.00
SLC6A4 P31645 3/20 1.00
HTR2C P28335 3/20 0.67
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PRMT5 O14744 1/20 0.61
WDR77 Q9BQA1 1/20 0.61
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
NCOR2 Q9Y618 2/20 0.60
HDAC2 Q92769 1/20 0.60
HTR5A P47898 1/20 0.58

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
SCHEMBL31093171 0.91 HTR1A (0.84) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL20364974 0.91 DRD2 (1.00) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL20358377 0.89 HTR1A (1.00) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL7647706 0.89 HTR1A (0.81) HTR1ADRD2HTR7DRD3HTR2B
Hydrochloric Acid SCHEMBL20359591 0.89 DRD2 (0.97) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL20364978 0.89 DRD2 (1.00) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL7647981 0.89 HTR1A (1.00) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL20364967 0.88 HTR1A (0.79) HTR1ADRD2HTR7DRD3HTR2B
Hydrochloric Acid SCHEMBL20359225 0.88 DRD2 (0.97) HTR1ADRD2HTR7DRD3HTR2B
Hydrochloric Acid SCHEMBL20358549 0.88 HTR1A (0.79) HTR1ADRD2HTR7DRD3HTR2B

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 3 patents. 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
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
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 28/4885DRD2 226/4885HTR7 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.