SCHEMBL8252214

SCHEMBL8252214

CC(C)(C)[Si](C)(C)OCCCn1ccc2ccc(C#N)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.49
▸ MCL1 Q07820 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PRMT5 O14744 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CDC7 O00311 6/20 0.36
▸ CDK2 P24941 3/20 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
SCHEMBL6030247 0.81 HTR2A (0.54) DUTMCL1
SCHEMBL9094075 0.81 DUT (0.51) DUTMCL1
SCHEMBL6029849 0.79 CDK4 (0.57) DUTHTT
SCHEMBL8430655 0.77 ALDH1A1 (0.46) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL20604703 0.76 DUT (0.41) DUTALDH1A1TSHRHTT
SCHEMBL27403009 0.76 ALDH1A1 (0.45) MCL1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL6260801 0.75 DUT (0.52) DUTMCL1
SCHEMBL9994932 0.74 ALDH1A1 (0.46) MCL1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL8255718 0.74 ALDH1A1 (0.46) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL6995817 0.74 ALDH1A1 (0.49) MCL1KDM4EALDH1A1TSHRHSD17B10

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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 — — US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 — — 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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A DUT 2267/4885MCL1 3508/4885KDM4E 3385/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A DUT 2267/4885MCL1 3508/4885KDM4E 3385/4885

“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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