SCHEMBL20009001

SCHEMBL20009001

Cc1nc(CN2CCN(C(C)C)CC2)co1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ENPP2 Q13822 3/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAOB P27338 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL12164397 0.82 DRD4 (0.43) HRH3DRD2DRD4DRD3ENPP2
SCHEMBL16400601 0.78 CXCR4 (0.45) HRH3DRD2DRD4DRD3ALDH1A1
SCHEMBL16400688 0.76 ENPP2 (0.46) DRD2DRD4DRD3ENPP2KCNH2
SCHEMBL19044556 0.75 HRH3 (0.39) HRH3KDM4EALDH1A1TDP1TLR7
SCHEMBL20012647 0.74 TLR9 (0.33) DRD2DRD4DRD3KDM4ETLR9
SCHEMBL20149598 0.74 RET (0.36)
SCHEMBL18705077 0.73 MAPT (0.43) HRH3KCNH2KDM4EALDH1A1TDP1
SCHEMBL16400714 0.73 ENPP2 (0.50) DRD2DRD4DRD3ENPP2KCNH2
SCHEMBL18705068 0.72 HRH3 (0.42) HRH3KDM4EALDH1A1TDP1
SCHEMBL14256503 0.72 KMT2A (0.51) HRH3DRD2DRD4DRD3ALDH1A1

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 HRH3 203/4885DRD2 4216/4885DRD4 4237/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885DRD2 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.