SCHEMBL23022892

SCHEMBL23022892

C1=CC2CCC1CC2CNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
CXCR4 P61073 2/20 0.42
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL9112636 0.79 ALDH1A1 (0.40) MEN1KMT2ATDP1
SCHEMBL23023143 0.73 TDP1 (0.47) HTR2CMEN1KMT2ATDP1
SCHEMBL2019717 0.72 HTR2C (0.64) HTR2CCXCR4HTR2AMEN1KMT2A
SCHEMBL2019718 0.72 HTR2C (0.64) HTR2CCXCR4HTR2AMEN1KMT2A
Hydrochloric Acid SCHEMBL4523862 0.70 HTR2C (0.62) HTR2CCXCR4HTR2AMEN1KMT2A
SCHEMBL23022863 0.70 HTR2C (0.57) HTR2CCXCR4HTR2AMEN1KMT2A
SCHEMBL4137817 0.69 HTR2C (1.00) HTR2CHTR2AMEN1KMT2ATDP1
SCHEMBL4137819 0.69 HTR2C (1.00) HTR2CHTR2AMEN1KMT2ATDP1
SCHEMBL2934330 0.69 CXCR4 (0.69) HTR2CCXCR4HTR2AMEN1KMT2A
SCHEMBL16083006 0.69 CXCR4 (0.69) HTR2CCXCR4HTR2AMEN1KMT2A

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 HTR2C 4102/4885CXCR4 4760/4885HTR2A 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.