SCHEMBL6460432

SCHEMBL6460432

Cc1cccc(OCC(=O)N[C@H]2CC[C@@H](Nc3ccc4ccccc4n3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
GLA P06280 1/20 0.48
MCHR1 Q99705 1/20 0.46
NOTUM Q6P988 2/20 0.45
LMNA P02545 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
SCHEMBL6460438 1.00 HPGD (0.57) HPGDHTTRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6458868 0.99 HPGD (0.56) HPGDHTTRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6458857 0.99 HPGD (0.56) HPGDHTTRAB9ASMN1; SMN2KMT2A
SCHEMBL6460127 0.90 SMN1; SMN2 (0.62) HPGDHTTRAB9ASMN1; SMN2KMT2A
SCHEMBL6460117 0.90 SMN1; SMN2 (0.62) HPGDHTTRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6458286 0.89 SMN1; SMN2 (0.61) HPGDHTTRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6458295 0.89 SMN1; SMN2 (0.61) HPGDHTTRAB9ASMN1; SMN2KMT2A
SCHEMBL6828728 0.89 HTT (0.58) HPGDHTTRAB9ASMN1; SMN2KMT2A
SCHEMBL6464205 0.88 MCHR1 (0.60) HPGDHTTRAB9ASMN1; SMN2POLB
SCHEMBL6464212 0.88 MCHR1 (0.60) HPGDHTTRAB9ASMN1; SMN2POLB

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 HPGD 2310/4885HTT 500/4885RAB9A 1648/4885

“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.