Sugi Predict

Sugi Predict / Compounds / SCHEMBL3829656

SCHEMBL3829656

SCHEMBL3829656

Cc1cccc(C)c1NC(=O)CC1CNCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ SCN3A Q9NY46 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SCN1A P35498 2/20 0.43
▸ SCN2A Q99250 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL2096759 0.81 EPHX1 (0.48) KMT2AMEN1CYP1A2CYP2C9NFKB1
SCHEMBL11036183 0.80 EPHX1 (0.50) KMT2AMEN1CYP1A2CYP2C9NFKB1
SCHEMBL2099003 0.77 WNT1 (0.46) KMT2AMEN1CYP1A2CYP2C9NFKB1
SCHEMBL9785689 0.76 CHRM1 (0.50) KMT2AMEN1CYP1A2CYP2C9NFKB1
SCHEMBL2911232 0.73 SLC6A1 (0.32) ALDH1A1
SCHEMBL5190571 0.72 JAK3 (0.47) KMT2AMEN1ALDH1A1GAAEPHX1
SCHEMBL5193058 0.72 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1KCNH2
SCHEMBL5231090 0.72 GAA (0.48) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL21162505 0.71 MC4R (0.52) KMT2AMEN1MAPTALDH1A1MC4R
Piperazine SCHEMBL11871903 0.70 ALDH1A1 (0.48) KMT2AMEN1CYP1A2CYP2C9NFKB1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578737-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC (US) 2009-09-16 — — EP disclosed
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 — — US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 — — US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 — — US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 — — US disclosed
EP-1578737-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-09-28 — — EP disclosed
US-6852723-B2 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. (US) 2005-02-08 — — US disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 — — US disclosed
WO-2004063180-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2004-07-29 — — WO disclosed
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-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-6451798-B2 PROTECTING SKELETAL MUSCLES AGAINST TRAUMA DAMAGE AND SUBSEQUENT TO DISEASE; TREATING SHOCK AND CARDIOVASCULAR DISEASES; PRESERVING DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2002-09-17 — — US disclosed
US-20010047001-A1 Substituted alkyl piperazine derivatives CV THERAPEUTICS, INC. 2001-11-29 — — US disclosed
US-20010044541-A1 Substituted piperazine compounds GILEAD PALO ALTO, INC. 2001-11-22 — — US 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
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 — — US disclosed
WO-2001062711-A2 SUBSTITUTED ALKYLENE DIAMINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 — — WO disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 — — WO 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 (7 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 KMT2A 3582/4885MEN1 3990/4885CYP1A2 1361/4885
US-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A KMT2A 2698/4885MEN1 4263/4885CYP1A2 1003/4885
US-20010036961-A1 Substituted alkylene diamine compounds TNNC1, CPT1B, TNNI3 KMT2A 3714/4885MEN1 3239/4885CYP1A2 2180/4885
US-20010047001-A1 Substituted alkyl piperazine derivatives ATP2A1, CPT1B, TNNC1 KMT2A 3846/4885MEN1 4715/4885CYP1A2 1518/4885
US-20010044541-A1 Substituted piperazine compounds ATP2A1, CPT1B, TNNC1 KMT2A 4291/4885MEN1 4696/4885CYP1A2 1519/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A KMT2A 3029/4885MEN1 2899/4885CYP1A2 782/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A KMT2A 3029/4885MEN1 2899/4885CYP1A2 782/4885

“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.