SCHEMBL1012557

SCHEMBL1012557

CCOC(=O)C1C(=O)C(C(=O)OCC)C2CCC1N2C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
AGTR2 P50052 5/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ELANE P08246 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1012764 0.89 HTR2C (0.52) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL1012809 0.86 AGTR2 (0.49) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL7652421 0.85 SMN1; SMN2 (0.55) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL20296331 0.82 HTR2C (0.56) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18410317 0.82 HTR2C (0.56) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1011753 0.81 ALDH1A1 (0.50) MEN1KMT2APKMNPSR1
SCHEMBL17061337 0.80 AGTR2 (0.52) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL11104941 0.79 HTR2C (0.52) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL11109029 0.79 HTR2C (0.52) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL11104947 0.79 HTR2C (0.52) HTR2CAGTR2SMN1; SMN2NPC1RAB9A

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
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed
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 HTR2C 439/4885AGTR2 1435/4885PSEN1 4380/4885

“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.