SCHEMBL6467595

SCHEMBL6467595

CN(C)c1nc(N[C@H]2CC[C@@H](NCc3c[nH]c4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 1/20 0.53
OPRM1 P35372 3/20 0.49
OPRL1 P41146 3/20 0.49
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTR1A P08908 2/20 0.41
ACHE P22303 5/20 0.41
BCHE P06276 4/20 0.41
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SSTR3 P32745 1/20 0.38

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
SCHEMBL6875174 1.00 LMNA (0.53) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6876052 0.89 NPY5R (0.46) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6457143 0.89 NPY5R (0.46) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6458392 0.88 APP (0.49) HTTADRA2AMCHR1ACHEBCHE
SCHEMBL6874250 0.88 ADRA2A (0.46) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6457965 0.88 ADRA2A (0.46) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6458400 0.88 APP (0.49) HTTADRA2AMCHR1ACHEBCHE
SCHEMBL6874191 0.86 BCHE (0.44) LMNAHTTHTR1AACHEBCHE
SCHEMBL6458578 0.86 BCHE (0.44) LMNAHTTHTR1AACHEBCHE
SCHEMBL13797392 0.85 MCHR1 (0.58) LMNAHTTKMT2AOPRM1OPRL1

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-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
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 LMNA 3391/4885HTT 500/4885KMT2A 693/4885

“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.