SCHEMBL20048037

SCHEMBL20048037

CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4C)CC3)C(=O)C(C1=O)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
ADRA1B P35368 2/20 0.52
DRD2 P14416 2/20 0.50
HTR2A P28223 1/20 0.50
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
LMNA P02545 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL13532573 0.89 KDM4E (0.64) ADRA1BDRD2HTR2AHTR1AHTR7
Umespirone SCHEMBL678458 0.86 DRD2 (0.69) ADRA1BDRD2HTR2AHTR1AHTR7
SCHEMBL10631261 0.85 HTR1A (0.58) ADRA1BDRD2HTR2AHTR1AHTR7
SCHEMBL13532577 0.82 HTR1A (0.64) ADRA1BDRD2HTR2AHTR1AHTR7
SCHEMBL13532574 0.81 HTR1A (0.58) ADRA1BDRD2HTR2AHTR1AHTR7
SCHEMBL10785287 0.79 SMN1; SMN2 (0.66) SMN1; SMN2ADRA1BDRD2HTR2AHTR1A
SCHEMBL13532575 0.79 KDM4E (0.63) DRD2HTR2AHTR1AHTR7DRD4
Hydrochloric Acid SCHEMBL10783574 0.78 SMN1; SMN2 (0.68) SMN1; SMN2ADRA1BDRD2HTR2AHTR1A
SCHEMBL6474505 0.77 DRD2 (0.60) SMN1; SMN2ADRA1BDRD2HTR2AHTR1A
SCHEMBL13484830 0.76 HTR1A (0.71) ADRA1BDRD2HTR2AHTR1AHTR7

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-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 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-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 SMN1; SMN2 2985/4885ADRA1B 233/4885DRD2 110/4885

“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.