SCHEMBL6463609

SCHEMBL6463609

CN(C)c1cc(NC2CCC(NC(=S)Nc3ccc(Br)cc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.42
ADRA2A P08913 8/20 0.42
ACP1 P24666 1/20 0.41
PKM P14618 1/20 0.39
NPY5R Q15761 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGFR P43088 1/20 0.36

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
SCHEMBL6463604 1.00 MCHR1 (0.42) MCHR1ADRA2AACP1PKMNPY5R
SCHEMBL6872384 0.90 MCHR1 (0.46) MCHR1ADRA2AACP1NPY5RMAPT
SCHEMBL6872387 0.90 MCHR1 (0.46) MCHR1ADRA2AACP1NPY5RMAPT
SCHEMBL6874657 0.90 ACP1 (0.41) MCHR1ADRA2AACP1PKMNPY5R
SCHEMBL6874646 0.90 ACP1 (0.41) MCHR1ADRA2AACP1PKMNPY5R
SCHEMBL6458568 0.88 SMN1; SMN2 (0.43) MCHR1ADRA2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6460801 0.88 SMN1; SMN2 (0.43) MCHR1ADRA2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6878446 0.88 MCHR1 (0.53) MCHR1ADRA2ANPY5R
SCHEMBL6878454 0.88 MCHR1 (0.53) MCHR1ADRA2ANPY5R
SCHEMBL6874252 0.87 ALDH1A1 (0.52) MCHR1ADRA2ASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885ACP1 4263/4885

“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.