SCHEMBL4498430

SCHEMBL4498430

Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
DRD3 P35462 4/20 0.68
DRD2 P14416 4/20 0.68
ADRB1 P08588 2/20 0.68
CYP3A4 P08684 2/20 0.68
ADRA2A P08913 2/20 0.68
CYP2D6 P10635 2/20 0.68
ADRA2B P18089 2/20 0.68
ADRA2C P18825 2/20 0.68
ADRA1A P35348 2/20 0.68
HTR2B P41595 2/20 0.68
KCNH2 Q12809 2/20 0.68
MEN1 O00255 1/20 0.68
MLNR O43193 1/20 0.68
NR1I2 O75469 1/20 0.68
USP2 O75604 1/20 0.68
CYP1A2 P05177 1/20 0.68
PGR P06401 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CYP2C9 P11712 1/20 0.68

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
SCHEMBL4500966 0.90 MEN1 (0.72) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL4488782 0.88 LMNA (0.66) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL4501968 0.82 MEN1 (0.58) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL4498645 0.82 DRD2 (0.55) LMNADRD3DRD2ADRB1CYP3A4
Lidoflazine SCHEMBL79037 0.81 ADRA1A (1.00) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL2327539 0.79 ALDH1A1 (0.64) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL6261397 0.76 ALOX15 (0.74) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL79038 0.76 MEN1 (0.88) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL12598795 0.75 CYP3A4 (0.70) LMNADRD3DRD2ADRB1CYP3A4
SCHEMBL7282669 0.75 KCNH2 (0.69) LMNADRD3ADRB1CYP3A4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A LMNA 2906/4885DRD3 3174/4885DRD2 2780/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A LMNA 2300/4885DRD3 3820/4885DRD2 3572/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A LMNA 2300/4885DRD3 3820/4885DRD2 3572/4885

“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.