SCHEMBL14217026

SCHEMBL14217026

N[C@@H](COC=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR7 P34969 1/20 0.56
HTR2B P41595 1/20 0.56
HTR6 P50406 1/20 0.56
SLC6A3 Q01959 1/20 0.56
TACR1 P25103 2/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MPO P05164 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL15639162 1.00 HTR2A (0.61) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL14217032 1.00 HTR2A (0.61) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL15639161 0.82 HTR2A (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL8742277 0.82 HTR2A (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL8742443 0.82 HTR2A (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL21292957 0.81 HTR2A (0.70) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL21292958 0.81 HTR2A (0.70) HTR2AADRB1HTR1AADRA2ASLC6A2
Hydrochloric Acid SCHEMBL4632780 0.80 HTR2A (0.68) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL14217025 0.80 HTR2A (0.59) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL14217034 0.80 HTR2A (0.59) HTR2AADRB1HTR1AADRA2ASLC6A2

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-9169247-B2 Tetrahydro-beta-carboline derivatives, synthesis and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2015-10-27 US disclosed
US-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2012-12-06 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-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF PDE5A, PDE3A, PDE3B HTR2A 799/4885ADRB1 127/4885HTR1A 1271/4885

“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.