SCHEMBL20012481

SCHEMBL20012481

CC(C)c1cn(C(C)C(=O)N(C)CCN2CCC(C(C)C)C2)cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.32
HTR2A P28223 5/20 0.32
HTR7 P34969 5/20 0.32
KCNH2 Q12809 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD2 P14416 1/20 0.31
CCR5 P51681 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL20008981 0.70 CPA1 (0.34)
SCHEMBL24851500 0.61 DPP4 (0.40) OPRM1HTR2AHTR7DRD2CCR5
SCHEMBL12384497 0.60 SLC18A3 (0.37) OPRM1DRD2
SCHEMBL10442555 0.60 SLC18A3 (0.37) OPRM1DRD2
SCHEMBL15837588 0.60 DRD2 (0.40) SIGMAR1DRD2
SCHEMBL21397315 0.60 DRD2 (0.40) SIGMAR1DRD2
SCHEMBL16980431 0.60 DRD2 (0.40) SIGMAR1DRD2
SCHEMBL26171348 0.59 POLB (0.44) OPRM1HTR7KCNH2DRD2CCR5
SCHEMBL21064707 0.58 KDM5A (0.33)
SCHEMBL20232928 0.58 GAA (0.38)

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 2 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

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 OPRM1 2267/4885HTR2A 3863/4885HTR7 2584/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 OPRM1 2267/4885HTR2A 3863/4885HTR7 2584/4885

“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.