SCHEMBL20008955

SCHEMBL20008955

COC1(Cc2ccccc2)CCN(C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
OPRL1 P41146 4/20 0.41
GAA P10253 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.39
GRIN2B Q13224 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TACR1 P25103 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
SCHEMBL18081013 0.80 MAOA (0.42) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL20012538 0.78 OPRM1 (0.40) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL18038697 0.77 GRIN2B (0.44) OPRM1OPRL1CYP46A1GRIN2BALDH1A1
SCHEMBL14000290 0.76 CYP46A1 (0.45) OPRM1OPRD1OPRK1OPRL1CYP46A1
SCHEMBL20008961 0.76 OPRL1 (0.61) CYP2D6KMT2AMEN1OPRM1OPRD1
SCHEMBL17542448 0.76 OPRM1 (0.50) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL20147375 0.73 MEN1 (0.52) CYP2D6KMT2AMEN1OPRM1OPRD1
SCHEMBL24634098 0.73 SLC6A2 (0.40) CYP2D6
SCHEMBL13957387 0.72 OPRM1 (0.43) CYP2D6KMT2AMEN1OPRM1OPRD1
SCHEMBL16601016 0.72 MAOA (0.45) OPRM1OPRK1OPRL1CYP46A1GRIN2B

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 CYP2D6 4116/4885KMT2A 489/4885MEN1 1824/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 CYP2D6 4116/4885KMT2A 489/4885MEN1 1824/4885

“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.