SCHEMBL4033718

SCHEMBL4033718

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)NCCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.64
ADRA2A P08913 14/20 0.64
NPY5R Q15761 2/20 0.61
HTR1A P08908 1/20 0.61
ADRA1A P35348 1/20 0.61
HRH1 P35367 1/20 0.61
HTR2B P41595 1/20 0.61
APP P05067 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
EPHX1 P07099 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46

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
SCHEMBL4033722 1.00 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4034830 0.94 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4034828 0.94 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5524641 0.91 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5524644 0.91 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4032552 0.90 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4032879 0.89 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4036493 0.89 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4037606 0.88 KMT2A (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4034179 0.88 MCHR1 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US claimed
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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MCHR1 1/4885ADRA2A 103/4885NPY5R 17/4885

“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.