SCHEMBL20009032

SCHEMBL20009032

CC(C)N1CC2CCC(C1)N2c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
KDM4E B2RXH2 2/20 0.34
HTR6 P50406 3/20 0.32
LMNA P02545 2/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD2 P14416 3/20 0.32
DRD4 P21917 3/20 0.32
CYP2C19 P33261 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ACHE P22303 2/20 0.31
OGA O60502 1/20 0.31

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
SCHEMBL22794068 0.83 OGA (0.33) HRH3OGA
SCHEMBL20009060 0.80 HRH3 (0.43) KDM4EDRD2DRD4HRH3
SCHEMBL18081206 0.79 OPRM1 (0.45) SLC6A7KDM4EOPRM1DRD2DRD4
SCHEMBL25468358 0.77 KIT (0.34)
SCHEMBL22790781 0.77 NPC1 (0.39) KDM4E
SCHEMBL18081292 0.75 SLC6A7 (0.38) SLC6A7KDM4EHTR6OPRM1DRD2
SCHEMBL25111415 0.75 ACACB (0.33) KDM4ELMNAOPRM1ALDH1A1
SCHEMBL20008997 0.73 HRH3 (0.43) KDM4EALDH1A1HRH3OGA
SCHEMBL20009044 0.73 KDM4E (0.37) KDM4ELMNAALDH1A1
SCHEMBL20008965 0.73 OPRM1 (0.47) OPRM1ALDH1A1DRD2DRD4HRH3

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 SLC6A7 3998/4885KDM4E 1623/4885HTR6 1785/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 SLC6A7 3998/4885KDM4E 1623/4885HTR6 1785/4885

“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.