Sugi Predict

Sugi Predict / Compounds / SCHEMBL20212754

SCHEMBL20212754

SCHEMBL20212754

COC1(C)CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ EPHX1 P07099 3/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ USP2 O75604 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL18701743 0.83 CYP3A4 (0.38) EPHX2HSD11B1ALDH1A1
SCHEMBL20224851 0.79 EPHX1 (0.37) ESR1ESR2EPHX1EPHX2USP2
SCHEMBL4463404 0.76 CYP2C19 (0.33) HSD11B1CYP2D6TSHRUSP2CYP1A2
SCHEMBL12045659 0.76 CYP1A2 (0.43) EPHX2CYP2D6TSHRUSP2CYP1A2
SCHEMBL4435637 0.75 HSD11B1 (0.32) HSD11B1
SCHEMBL24723402 0.75 HSD11B1 (0.33) HSD11B1CYP2D6USP2CYP1A2CYP2C9
SCHEMBL26806776 0.75 CYP2C9 (0.50) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL29799432 0.73 EPHX2 (0.40) ESR1ESR2EPHX1EPHX2
SCHEMBL29799546 0.73 EPHX2 (0.40) ESR1ESR2EPHX1EPHX2HTR1A
SCHEMBL78026 0.73 USP2 (0.51) EPHX1EPHX2TSHRUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 — — US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 — — US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 — — 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 (4 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 ESR1 675/4885ESR2 424/4885EPHX1 3308/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 ESR1 1522/4885ESR2 717/4885EPHX1 2966/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 ESR1 654/4885ESR2 393/4885EPHX1 2104/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 ESR1 654/4885ESR2 393/4885EPHX1 2104/4885

“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.