SCHEMBL4500966

SCHEMBL4500966

Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(O)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
LMNA P02545 3/20 0.72
CYP3A4 P08684 3/20 0.72
ADRB1 P08588 2/20 0.72
ADRA2A P08913 2/20 0.72
CYP2D6 P10635 2/20 0.72
ADRA2B P18089 2/20 0.72
ADRA2C P18825 2/20 0.72
ADRA1A P35348 2/20 0.72
DRD3 P35462 2/20 0.72
HTR2B P41595 2/20 0.72
KCNH2 Q12809 2/20 0.72
MLNR O43193 1/20 0.72
NR1I2 O75469 1/20 0.72
USP2 O75604 1/20 0.72
CYP1A2 P05177 1/20 0.72
PGR P06401 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CYP2C9 P11712 1/20 0.72

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
SCHEMBL4498430 0.90 LMNA (0.68) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL4488782 0.88 LMNA (0.66) MEN1KMT2ALMNACYP3A4ADRB1
Lidoflazine SCHEMBL79037 0.84 ADRA1A (1.00) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL4501968 0.83 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL2327539 0.81 ALDH1A1 (0.64) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL4499708 0.81 LMNA (0.61) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL8556384 0.79 MEN1 (0.60) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL6261397 0.79 ALOX15 (0.74) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL79038 0.79 MEN1 (0.88) MEN1KMT2ALMNACYP3A4ADRB1
SCHEMBL3860430 0.78 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ADRB1

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 15 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-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US 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-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 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-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 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
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 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 MEN1 4263/4885KMT2A 2698/4885LMNA 2906/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885LMNA 2300/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885LMNA 2300/4885

“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.