SCHEMBL19629766

SCHEMBL19629766

CCCCC(C)N1CCNC(c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.38
▸ GSK3B P49841 2/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL10349652 0.81 PDE10A (0.40) PDE10AGSK3BDRD2DRD3KDM4E
Hydrochloric Acid SCHEMBL10382640 0.80 GSK3B (0.40) PDE10AGSK3BDRD2DRD3KDM4E
SCHEMBL21498090 0.79 KDM4E (0.40) PDE10AGSK3BKDM4EMEN1KMT2A
SCHEMBL11707727 0.78 OPRD1 (0.37) PDE10AGSK3BOPRM1OPRD1KDM4E
SCHEMBL7013419 0.72 GSK3B (0.42) PDE10AGSK3BDRD2DRD3DRD1
SCHEMBL2908444 0.70 PDE10A (0.45) PDE10AGSK3BKDM4EDRD1
SCHEMBL90572 0.70 PDE10A (0.45) PDE10AGSK3BKDM4EDRD1
SCHEMBL2910280 0.70 PDE10A (0.45) PDE10AGSK3BKDM4EDRD1
SCHEMBL22222379 0.69 CACNA2D1 (0.32) OPRM1
SCHEMBL21831322 0.69 HRH3 (0.47) OPRM1OPRD1OPRK1OPRL1DRD2

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-10358437-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-07-23 — — US disclosed
US-10316023-B2 — — 2019-06-11 — — US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — 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 (3 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-10316023-B2 — PKD1, NHERF1, PCSK6 PDE10A 278/4885GSK3B 1867/4885OPRM1 2947/4885
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF PKD1, NHERF1, HDAC10 PDE10A 123/4885GSK3B 1607/4885OPRM1 3220/4885
US-10358437-B2 Therapeutic compounds and uses thereof PKD1, NHERF1, HDAC10 PDE10A 123/4885GSK3B 1607/4885OPRM1 3220/4885

“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.

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