SCHEMBL769884

SCHEMBL769884

CC(NC(C)(C)C)C(O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 1.00
▸ CHRM2 P08172 2/20 0.62
▸ ADRA1A P35348 2/20 0.62
▸ ADRA2C P18825 2/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ RGS12 O14924 1/20 0.62
▸ GLA P06280 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ THPO P40225 1/20 0.62
▸ GNAI1 P63096 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ KMT2A Q03164 2/20 0.60

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
Erythro-Hydrobupropion SCHEMBL1227545 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL1226880 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL30252298 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL3320024 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL3320155 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL1229064 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL30252231 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL29465706 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL1226819 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6
Erythro-Hydrobupropion SCHEMBL3320146 0.79 SLC6A4 (0.65) SLC6A4CHRM2ADRA1AADRA2CCYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 — — US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 — — US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 — — US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 — — 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 (3 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885CHRM2 518/4885ADRA1A 70/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885CHRM2 518/4885ADRA1A 70/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885CHRM2 518/4885ADRA1A 70/4885

“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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