SCHEMBL21065631

SCHEMBL21065631

CC(C)(c1ccc2c(c1)CCC2)c1ccc2c(c1)CCN(C(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 7/20 0.35
▸ DRD5 P21918 6/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ DRD4 P21917 4/20 0.32
▸ DRD3 P35462 4/20 0.32
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ PHGDH O43175 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
SCHEMBL13112853 0.84 HTR5A (0.36) DRD1DRD5HDAC6ESR2MAOA
SCHEMBL21118940 0.83 KCNH2 (0.34) DRD1DRD5ESR2MOGAT2KIF11
SCHEMBL23008887 0.82 RIPK1 (0.36) DRD1DRD5HDAC6RIPK1ESR2
SCHEMBL13405606 0.81 NOTUM (0.46) HDAC6ESR2PHGDH
SCHEMBL26803755 0.81 ESR2 (0.34) DRD1DRD5HDAC6ESR2MAOA
SCHEMBL13112864 0.81 HTR5A (0.41) DRD1DRD5ESR2MAOAMAOB
SCHEMBL21465992 0.79 HRH3 (0.43) DRD1DRD5MOGAT2
SCHEMBL19708524 0.78 NOTUM (0.46) ESR2PHGDH
SCHEMBL21341299 0.77 HTR5A (0.38) DRD1DRD5HDAC6DRD2DRD4
SCHEMBL17813373 0.76 AKR1C3 (0.39) HDAC6ESR2MAOAMAOBHDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169165-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2019-06-06 — — 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 (1 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-20190169165-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 DRD1 866/4885DRD5 184/4885HDAC6 38/4885

“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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