SCHEMBL7247464

SCHEMBL7247464

O=C(O)C1C(=O)C[C@@H]2CC[C@H]1N2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 3/20 0.41
OPRK1 P41145 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL1015012 0.85 SLC6A4 (0.54) SLC6A4SLC6A3CYP3A4L3MBTL1KMT2A
SCHEMBL1011495 0.85 SLC6A4 (0.54) SLC6A4SLC6A3CYP3A4L3MBTL1KMT2A
SCHEMBL1010265 0.84 FKBP1A (0.46) SLC6A4SLC6A3KCNH2
SCHEMBL1012738 0.83 ALDH1A1 (0.46) SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL7652967 0.83 CYP2C19 (0.46) SLC6A4SLC6A3CHRM2CYP3A4TSHR
SCHEMBL1012334 0.82 SLC6A4 (0.44) SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL1011459 0.80 SLC6A4 (0.42) SLC6A4SLC6A3
SCHEMBL11097065 0.78 SLC6A4 (0.48) SLC6A4SLC6A3CHRM2KCNH2OPRK1
SCHEMBL11095157 0.78 SLC6A4 (0.48) SLC6A4SLC6A3CHRM2KCNH2OPRK1
SCHEMBL7243880 0.77 AGTR2 (0.53) CYP2C19KMT2A

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
US-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative NIHON MEDI-PHYSICS CO., LTD. 2003-04-03 US disclosed
US-6486323-B1 Process for producing optically active tropinonemonocarboxylic acid derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-11-26 US disclosed
EP-1118674-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE Nihon Medi-Physics Co., Ltd. (JP) 2001-07-25 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-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative CES2, FTO, HAAO SLC6A4 1204/4885SLC6A3 712/4885CHRM2 733/4885

“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.