SCHEMBL6462839

SCHEMBL6462839

Cc1cccc(OCC(=O)N[C@H]2CC[C@@H](Nc3cc(C)c4ccccc4n3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GLA P06280 1/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 4/20 0.49
THRB P10828 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.46
MCHR1 Q99705 1/20 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
SCHEMBL6462845 1.00 MAPT (0.56) MAPTSMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6460911 0.99 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6460917 0.99 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6462331 0.92 SMN1; SMN2 (0.59) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6462345 0.92 SMN1; SMN2 (0.59) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6464706 0.91 MCHR1 (0.52) MAPTSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL6464711 0.91 MCHR1 (0.52) MAPTSMN1; SMN2LMNAKDM4EHPGD
Hydrochloric Acid SCHEMBL6457231 0.91 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6457237 0.91 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6457341 0.90 MCHR1 (0.51) MAPTSMN1; SMN2LMNAKDM4EHPGD

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
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
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 MAPT 517/4885SMN1; SMN2 1477/4885MEN1 734/4885

“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.