Sugi Predict

Sugi Predict / Compounds / SCHEMBL6766645

SCHEMBL6766645

SCHEMBL6766645

Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.60
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.52
▸ CYP3A4 P08684 4/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ ADRA1A P35348 3/20 0.51
▸ DRD3 P35462 3/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HRH1 P35367 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ ADRA2B P18089 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ HTR2B P41595 2/20 0.51

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
SCHEMBL6767027 0.93 TSHR (0.54) ARNPC1SIGMAR1CYP3A4CYP2C9
SCHEMBL6769471 0.86 ALDH1A1 (0.59) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL6277857 0.81 MEN1 (0.65) MEN1LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6284447 0.81 CYP3A4 (0.60) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL6766657 0.81 KMT2A (0.52) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL6763792 0.81 KMT2A (0.52) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL2327539 0.80 ALDH1A1 (0.64) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL6766426 0.80 ALDH1A1 (0.56) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL3860430 0.80 MEN1 (0.58) CYP3A4CYP2C9ADRA1ADRD3HTR2A
SCHEMBL8556384 0.78 MEN1 (0.60) CYP3A4CYP2C9ADRA1ADRD3HTR2A

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 AR 2833/4885NPC1 2879/4885RAB9A 1837/4885

“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.