SCHEMBL22387666

SCHEMBL22387666

CCCc1ccc2c(c1)OCC1COCCN21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 17/20 0.43
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL20867824 0.84 AAK1 (0.41) AAK1
SCHEMBL22652322 0.80 HTR2C (0.62) HTR2CHTR2B
SCHEMBL16440168 0.80 AAK1 (0.43) AAK1
SCHEMBL21455348 0.77 AAK1 (0.51) AAK1
SCHEMBL17076642 0.77 AAK1 (0.51) AAK1
SCHEMBL20868007 0.77 AAK1 (0.51) AAK1
SCHEMBL16437282 0.76 AAK1 (0.46) AAK1
SCHEMBL21455062 0.76 AAK1 (0.42) AAK1
SCHEMBL21469114 0.74 ALDH1A1 (0.39) AAK1
SCHEMBL22270895 0.74 AAK1 (0.42) AAK1

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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 AAK1 2332/4885HTR2C 1966/4885HTR2B 2201/4885

“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.