SCHEMBL8430655

SCHEMBL8430655

CCCCn1ccc2ccc(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 2/20 0.45
POLB P06746 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
PRMT5 O14744 1/20 0.43
P2RX7 Q99572 1/20 0.43
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CDC7 O00311 4/20 0.41
CDK2 P24941 2/20 0.41

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
SCHEMBL8430662 0.91 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL6995817 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL9994932 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL26053296 0.85 HTR7 (0.57) HTR7CDK4CCND1CDC7CDK2
SCHEMBL8255718 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL6990971 0.84 HTR2A (0.50) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL20656047 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL9995116 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRHSD17B10HPGD
Hydrochloric Acid SCHEMBL6995071 0.83 HTR2A (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL27403009 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRHSD17B10HPGD

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
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
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 ALDH1A1 1420/4885KDM4E 3385/4885TSHR 180/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A ALDH1A1 1420/4885KDM4E 3385/4885TSHR 180/4885

“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.