SCHEMBL7079896

SCHEMBL7079896

N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N(CO)CCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.65
HTR1A P08908 5/20 0.65
HTR2A P28223 5/20 0.65
HTR2B P41595 4/20 0.65
NPSR1 Q6W5P4 4/20 0.65
TSHR P16473 4/20 0.65
NFKB1 P19838 3/20 0.65
BLM P54132 3/20 0.65
LMNA P02545 3/20 0.65
PMP22 Q01453 3/20 0.65
SLC6A4 P31645 3/20 0.65
MAPT P10636 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 2/20 0.65
HTR7 P34969 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ADORA3 P0DMS8 1/20 0.65
ALOX15 P16050 1/20 0.65
MTOR P42345 1/20 0.65

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
Hydrochloric Acid SCHEMBL9835379 0.81 HTR1A (0.61) HTR2CHTR1AHTR2AHTR2BNPSR1
Hydrochloric Acid SCHEMBL9835384 0.81 HTR1A (0.61) HTR2CHTR1AHTR2AHTR2BNPSR1
SCHEMBL5066582 0.79 HTR2C (0.80) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL21114383 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL29366470 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL1421238 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL43242 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL21114382 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL3033706 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1
Oxitriptan SCHEMBL19871232 0.79 NPSR1 (1.00) HTR2CHTR1AHTR2AHTR2BNPSR1

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-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HTR2C 2645/4885HTR1A 2508/4885HTR2A 4552/4885

“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.