SCHEMBL4715282

SCHEMBL4715282

c1ccc(CNCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.64
P2RX7 Q99572 5/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
CHRM2 P08172 2/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.47

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 SCHEMBL1677932 0.98 EPHX2 (0.62) EPHX2P2RX7MEN1KMT2ATDP1
SCHEMBL23023053 0.90 EPHX2 (0.53) EPHX2P2RX7MEN1KMT2ATDP1
SCHEMBL4715003 0.83 GRIN2D (0.48) EPHX2P2RX7MEN1KMT2ATDP1
SCHEMBL10067533 0.83 P2RX7 (0.67) EPHX2P2RX7MEN1KMT2AALDH1A1
SCHEMBL19173632 0.80 CHRM2 (0.53) EPHX2P2RX7MEN1KMT2ACHRM2
SCHEMBL4717867 0.78 OPRM1 (0.47) EPHX2MEN1KMT2AALDH1A1
SCHEMBL3241417 0.77 EPHX2 (0.60) EPHX2P2RX7MEN1KMT2AMAOA
SCHEMBL1677723 0.76 EPHX2 (0.53) EPHX2P2RX7MEN1KMT2ACHRM2
SCHEMBL23323137 0.76 P2RX7 (0.53) EPHX2P2RX7MEN1KMT2ACHRM2
SCHEMBL4716912 0.75 SPHK2 (0.52) EPHX2P2RX7MEN1KMT2AALDH1A1

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 3 patents. 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
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO 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 EPHX2 3395/4885P2RX7 3794/4885MEN1 3487/4885

“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.