SCHEMBL6460038

SCHEMBL6460038

Cc1cc(NC2CCC(NC(=O)c3cccc(Br)c3)CC2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.66
MCHR1 Q99705 10/20 0.66
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 3/20 0.49
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
NPY5R Q15761 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6460030 1.00 ADRA2A (0.66) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6457559 0.99 ADRA2A (0.65) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6457556 0.99 ADRA2A (0.65) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
SCHEMBL6461776 0.90 MCHR1 (0.66) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
SCHEMBL6461781 0.90 MCHR1 (0.66) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6455751 0.89 MCHR1 (0.65) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6455762 0.89 MCHR1 (0.65) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
SCHEMBL6461964 0.89 KDM4E (0.58) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
SCHEMBL6461968 0.89 KDM4E (0.58) ADRA2AMCHR1LMNASMN1; SMN2KDM4E
SCHEMBL6463580 0.88 LMNA (0.55) ADRA2AMCHR1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
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
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO 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 ADRA2A 117/4885MCHR1 2/4885LMNA 3391/4885

“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.