SCHEMBL20254732

SCHEMBL20254732

CC(C)(C)c1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.83
▸ ADRA1A P35348 3/20 0.83
▸ HTR1A P08908 2/20 0.74
▸ ADRA2A P08913 2/20 0.74
▸ ADRA2B P18089 2/20 0.74
▸ ADRA2C P18825 2/20 0.74
▸ DRD4 P21917 2/20 0.74
▸ HTR2A P28223 2/20 0.74
▸ HTR2C P28335 2/20 0.74
▸ HRH1 P35367 2/20 0.74
▸ ADRA1B P35368 2/20 0.74
▸ DRD3 P35462 2/20 0.74
▸ MEN1 O00255 1/20 0.74
▸ CACNA1F O60840 1/20 0.74
▸ KCNK2 O95069 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ ADRB2 P07550 1/20 0.74
▸ CHRM2 P08172 1/20 0.74
▸ CHRM4 P08173 1/20 0.74

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
Chlorohaloperidol SCHEMBL4112719 0.91 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20248956 0.90 DRD2 (0.76) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20254449 0.89 DRD2 (0.83) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL11792957 0.89 DRD2 (0.83) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL11796046 0.88 DRD2 (0.88) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20248950 0.88 DRD2 (0.88) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL28925904 0.86 DRD2 (0.60) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL5070670 0.85 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20652955 0.85 DRD2 (0.88) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20254453 0.85 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B

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-20190015400-A1 Antifungal Compositions UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2019-01-17 — — US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 — — 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 (2 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-20190015400-A1 Antifungal Compositions DPM1, HNMT, ERG28 DRD2 301/4885ADRA1A 851/4885HTR1A 103/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 DRD2 4655/4885ADRA1A 2927/4885HTR1A 4703/4885

“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.

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