SCHEMBL4508481

SCHEMBL4508481

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
DRD2 P14416 3/20 0.53
MLNR O43193 2/20 0.53
NR1I2 O75469 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
CHRM3 P20309 2/20 0.53
SLC6A2 P23975 2/20 0.53
HTR2A P28223 2/20 0.53
SLC6A4 P31645 2/20 0.53
ADRA1A P35348 2/20 0.53
HRH1 P35367 2/20 0.53
DRD3 P35462 2/20 0.53
OPRK1 P41145 2/20 0.53
HTR2B P41595 2/20 0.53
MC3R P41968 2/20 0.53
SLC6A3 Q01959 2/20 0.53

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
SCHEMBL4499708 0.88 LMNA (0.61) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL4498645 0.87 DRD2 (0.55) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL4488782 0.82 LMNA (0.66) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL2327539 0.78 ALDH1A1 (0.64) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL10762865 0.76 CYP2J2 (0.63) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL6261397 0.75 ALOX15 (0.74) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL11831920 0.74 CYP2J2 (0.59) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL6277653 0.73 CYP3A4 (0.55) LMNADRD2MLNRNR1I2ADRB1
Hydrochloric Acid SCHEMBL11831531 0.73 CYP2J2 (0.58) LMNADRD2MLNRNR1I2ADRB1
SCHEMBL8556384 0.73 MEN1 (0.60) LMNADRD2MLNRNR1I2ADRB1

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 2906/4885DRD2 2780/4885MLNR 2608/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A LMNA 2300/4885DRD2 3572/4885MLNR 2751/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A LMNA 2300/4885DRD2 3572/4885MLNR 2751/4885

“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.