SCHEMBL6169205

SCHEMBL6169205

CCCCNC(=O)CCc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
ELANE P08246 2/20 0.52
HDAC3 O15379 1/20 0.51
PYGL P06737 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL31036179 0.89 HSD17B10 (0.60) HDAC1HDAC8LMNA
SCHEMBL16728220 0.86 L3MBTL1 (0.68) HPGDHDAC1HDAC8CYP1A2GAA
SCHEMBL6502555 0.86 HPGD (0.60) HPGDHDAC1HDAC8POLBGAA
SCHEMBL1093862 0.82 HPGD (0.91) HPGDHDAC1HDAC8HDAC3GAA
SCHEMBL31036028 0.81 HDAC1 (0.60) HDAC1HDAC8CYP1A2
SCHEMBL31036034 0.81 HDAC1 (0.60) HDAC1HDAC8CYP1A2
SCHEMBL9425343 0.80 TRPV1 (0.75) HPGDCYP1A2POLBKDM4ELMNA
SCHEMBL934187 0.80 HPGD (0.61) HPGDHDAC1HDAC8HDAC3GAA
SCHEMBL13652571 0.80 MTNR1A (0.62) HDAC1HDAC8POLBGAAKDM4E
SCHEMBL9679759 0.80 CYP1A2 (0.71) HDAC1HDAC8CYP1A2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP claimed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 WO claimed
WO-2022178592-A1 SOLID PHASE SYNTHESIS OF GLUTAMATE-UREA-LYSINE DERIVED (GUL DERIVED) PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) TARGETING CONJUGATES AND THEIR USE AS PRECURSORS FOR THERAPEUTIC AND / OR DIAGNOSTIC AGENTS Telix International Pty Ltd (AU) 2022-09-01 WO disclosed
US-20200353109-A1 A DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-11-12 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-20200353109-A1 A DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF CD47, ANXA5, ANXA1 HPGD 1906/4885HDAC1 1549/4885HDAC8 4289/4885

“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.