SCHEMBL21026469

SCHEMBL21026469

Cc1noc2cc(N3CCN(CC[C@H]4CC[C@H](NC(=O)N(C)C)CC4)CC3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.54
DRD2 P14416 9/20 0.54
HTR2A P28223 8/20 0.54
HTR1A P08908 4/20 0.54
DRD4 P21917 3/20 0.53
ADRA2A P08913 2/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53
ADRA1A P35348 2/20 0.53
HRH1 P35367 2/20 0.53
HTR2B P41595 2/20 0.53
ABCB11 O95342 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
KCNH2 Q12809 1/20 0.53
CHRM4 P08173 1/20 0.52
ADRB1 P08588 1/20 0.52
CHRM5 P08912 1/20 0.52

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
SCHEMBL21026228 0.91 DRD3 (0.57) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21026348 0.84 DRD3 (0.61) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21729947 0.83 DRD2 (0.56) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21026108 0.82 DRD3 (0.61) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21729945 0.79 DRD2 (0.69) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL22383847 0.79 DRD2 (0.56) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL30855312 0.78 DRD2 (0.69) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21026421 0.77 HTR2A (0.60) DRD3HTR2A
SCHEMBL30855294 0.77 DRD2 (0.53) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21026223 0.77 HTR2A (0.82) DRD3HTR2A

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-10301277-B2 Substituted ureas and methods of treating mental illness using the same ZHEJIANG JINGXIN PHARMACEUTICAL CO., LTD. (CN) 2019-05-28 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-10301277-B2 Substituted ureas and methods of treating mental illness using the same CRHR1, UTS2R, HTR2C DRD3 11/4885DRD2 19/4885HTR2A 23/4885

“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.