SCHEMBL6766657

SCHEMBL6766657

Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(O)CCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ADRB1 P08588 2/20 0.52
CYP3A4 P08684 2/20 0.52
ADRA2A P08913 2/20 0.52
CYP2D6 P10635 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2B P41595 2/20 0.52
KCNH2 Q12809 2/20 0.52
LMNA P02545 2/20 0.52
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL6763792 1.00 KMT2A (0.52) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6766337 0.89 CYP3A4 (0.52) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6283554 0.85 CYP3A4 (0.62) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6767027 0.82 TSHR (0.54) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6284447 0.81 CYP3A4 (0.60) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6766645 0.81 AR (0.60) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6769471 0.80 ALDH1A1 (0.59) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6277857 0.79 MEN1 (0.65) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL2327539 0.79 ALDH1A1 (0.64) KMT2AMEN1ADRB1CYP3A4ADRA2A
SCHEMBL6286482 0.78 CYP3A4 (0.64) KMT2AMEN1ADRB1CYP3A4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677343-B2 USEFUL IN PROTECTING SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR TO PROTECT AGAINST LIMPING, TREATING SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS, AND IN TREATING CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. 2004-01-13 US claimed
US-20010044541-A1 Substituted piperazine compounds GILEAD PALO ALTO, INC. 2001-11-22 US claimed
WO-2001062749-A1 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO claimed
US-6677343-B2 USEFUL IN PROTECTING SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR TO PROTECT AGAINST LIMPING, TREATING SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS, AND IN TREATING CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. 2004-01-13 US disclosed
US-20010044541-A1 Substituted piperazine compounds GILEAD PALO ALTO, INC. 2001-11-22 US disclosed
WO-2001062749-A1 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 (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-20010044541-A1 Substituted piperazine compounds ATP2A1, CPT1B, TNNC1 KMT2A 4291/4885MEN1 4696/4885ADRB1 60/4885

“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.