SCHEMBL118320

SCHEMBL118320

Oc1ccccc1CNC[C@H](O)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
ADRB2 P07550 2/20 0.47
ADRB1 P08588 1/20 0.47
OPRK1 P41145 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
BCHE P06276 1/20 0.45
SLC16A3 O15427 1/20 0.44

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
SCHEMBL118305 1.00 PNMT (0.52) PNMTADRB2ADRB1OPRK1CYP2D6
SCHEMBL10070265 0.86 PNMT (0.51) PNMTADRB2ADRB1BCHE
SCHEMBL10070266 0.86 PNMT (0.51) PNMTADRB2ADRB1BCHE
SCHEMBL178869 0.83 MEN1 (0.55)
SCHEMBL117129 0.83 BCHE (0.49) PNMTBCHE
SCHEMBL178870 0.83 MEN1 (0.55)
SCHEMBL115946 0.83 BCHE (0.49) PNMTBCHE
SCHEMBL115944 0.83 BCHE (0.59) PNMTBCHESLC16A3
SCHEMBL28176931 0.82 PNMT (0.59) PNMTADRB2ADRB1
SCHEMBL115973 0.82 PNMT (0.47) PNMTBCHE

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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 PNMT 2146/4885ADRB2 3541/4885ADRB1 1928/4885

“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.