SCHEMBL6281817

SCHEMBL6281817

Cc1cccc(C)c1NC(=O)C(C)(C)N1CCN(CC(O)Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 5/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 1/20 0.42
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL6280646 0.86 CYP3A4 (0.53) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL6281716 0.83 CYP2D6 (0.46) LMNATSHRCYP3A4CYP2D6
SCHEMBL6283413 0.79 CYP3A4 (0.49) MEN1KMT2ALMNATSHRCYP3A4
SCHEMBL7248964 0.77 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL7253156 0.76 KMT2A (0.46) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL7247504 0.73 SCN4A (0.36) MEN1KMT2ALMNATSHRCYP3A4
SCHEMBL7119899 0.69 RXFP1 (0.46) SMN1; SMN2MEN1KMT2ALMNAGAA
SCHEMBL7807880 0.69 ALDH1A1 (0.50) MEN1KMT2ALMNAGAACYP3A4
SCHEMBL6286482 0.68 CYP3A4 (0.64) MEN1KMT2ALMNATSHRALOX15
SCHEMBL18486429 0.68 POLB (0.58) SMN1; SMN2MEN1KMT2ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176440-A1 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. 2003-09-18 US claimed
US-6552023-B2 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2003-04-22 US claimed
US-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2001-11-15 US claimed
US-6852723-B2 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. (US) 2005-02-08 US disclosed
US-20030176440-A1 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
US-6552023-B2 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2003-04-22 US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
US-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2001-11-15 US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO 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-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life TNNC1, ATP2A1, ATP2A2 SMN1; SMN2 133/4885MEN1 3990/4885KMT2A 3582/4885
US-20030176440-A1 Aralkyl substituted piperazine compounds ATP2A1, ATP2A3, ATP2A2 SMN1; SMN2 936/4885MEN1 4594/4885KMT2A 4417/4885

“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.