SCHEMBL20009020

SCHEMBL20009020

CC(C)N1CC2CCC(C1)N2c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
CHRM1 P11229 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD5 P21918 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL20008965 0.82 OPRM1 (0.47) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL15858967 0.81 HRH3 (0.38) DRD3DRD2SLC6A4SLC6A3SIGMAR1
SCHEMBL19003589 0.81 HRH3 (0.38) DRD3DRD2SLC6A4SLC6A3SIGMAR1
SCHEMBL18081191 0.80 OPRM1 (0.51) DRD3DRD2DRD4CHRM1SLC6A2
SCHEMBL20009007 0.76 HRH3 (0.46) DRD3DRD4SLC6A4HTR2AHTR7
SCHEMBL20009027 0.76 CYP11B2 (0.35) ADRA2BOPRM1
SCHEMBL20009009 0.75 OPRM1 (0.35) HTR6HRH3OPRM1
SCHEMBL20682352 0.74 AKR1C3 (0.48) CYP2C19CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL20009043 0.72 CHRNB2 (0.33) HRH3OPRM1
SCHEMBL20009051 0.71 CHRNB2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 DRD3 4013/4885DRD2 4216/4885DRD4 4237/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 DRD3 4013/4885DRD2 4216/4885DRD4 4237/4885

“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.