SCHEMBL23901673

SCHEMBL23901673

CN1CCN([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.59
KCNH2 Q12809 7/20 0.59
CHRM2 P08172 3/20 0.59
ADRA2A P08913 3/20 0.59
CHRM1 P11229 3/20 0.59
DRD1 P21728 3/20 0.59
DRD3 P35462 3/20 0.59
SLC6A3 Q01959 3/20 0.59
OPRM1 P35372 2/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM3 P20309 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HRH1 P35367 1/20 0.59
HTR2B P41595 1/20 0.59
MC4R P32245 4/20 0.58
MAOB P27338 1/20 0.55

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 SCHEMBL11817710 0.98 KCNH2 (0.58) CYP2D6KCNH2CHRM2ADRA2ACHRM1
SCHEMBL18901728 0.87 CYP2D6 (0.61) CYP2D6KCNH2CHRM2ADRA2ACHRM1
SCHEMBL23901671 0.86 MAOB (0.51) CYP2D6KCNH2ADRA2ACHRM1MC4R
SCHEMBL4873121 0.83 CYP2C19 (0.73) CYP2D6KCNH2MAOBGAACYP2C19
SCHEMBL23496077 0.83 CYP2C19 (0.73) CYP2D6KCNH2MAOBGAACYP2C19
SCHEMBL7089852 0.83 CYP2C19 (0.73) CYP2D6KCNH2MAOBGAACYP2C19
SCHEMBL18390095 0.82 MC4R (0.62) CYP2D6KCNH2CHRM2ADRA2ACHRM1
SCHEMBL9366911 0.81 KCNA5 (0.74) CYP2D6KCNH2MAOBGAACYP2C19
SCHEMBL4875640 0.81 KCNA5 (0.74) CYP2D6KCNH2MAOBGAACYP2C19
SCHEMBL15700085 0.80 MC4R (0.65) CYP2D6KCNH2CHRM2ADRA2ACHRM1

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE CYP2D6 4663/4885KCNH2 3229/4885CHRM2 4139/4885

“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.