SCHEMBL23023142

SCHEMBL23023142

CC(Cc1ccc2ccccc2c1)NCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.69
ADRB2 P07550 2/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
BCHE P06276 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2A6 P11509 1/20 0.46

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
SCHEMBL18769860 0.89 ADRB2 (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B
N-Benzylamphetamine SCHEMBL2798189 0.82 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMAPK1CYP1A2
N-Benzylamphetamine SCHEMBL2451256 0.82 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMAPK1CYP1A2
N-Benzylamphetamine SCHEMBL2795222 0.82 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL8587899 0.82 LMNA (0.71) SIGMAR1ADRB2HTR2AHTR2CHTR2B
N-Benzylamphetamine SCHEMBL8085021 0.81 SIGMAR1 (0.96) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL24997843 0.80 SIGMAR1 (0.79) SIGMAR1ADRB2HTR2ALMNAPOLB
SCHEMBL12767657 0.80 HTR2A (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B
SCHEMBL10023024 0.80 HTR2A (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B
SCHEMBL29602616 0.80 HTR2A (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 SIGMAR1 2321/4885ADRB2 3712/4885HTR2A 3576/4885

“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.