SCHEMBL4030769

SCHEMBL4030769

CN(C)c1nc(NC2CCCCC2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.60
ADRA2A P08913 15/20 0.60
NPY5R Q15761 4/20 0.60
HTR1A P08908 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57
PDE5A O76074 2/20 0.52
ACP1 P24666 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL30454842 0.93 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5524125 0.93 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4036329 0.89 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5527362 0.89 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4036332 0.89 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4031941 0.89 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5527360 0.89 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030866 0.89 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030868 0.89 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4031945 0.89 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R MCHR1 1/4885ADRA2A 131/4885NPY5R 11/4885

“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.