SCHEMBL643168

SCHEMBL643168

CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 1/20 0.56
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.49
MGLL Q99685 3/20 0.48
MAPT P10636 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47

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
SCHEMBL642196 0.90 GAA (0.56) GAAPKMKMT2AACHEBACE1
SCHEMBL5137215 0.90 GAA (0.65) GAAPKMKMT2AACHEBACE1
SCHEMBL13028221 0.89 GAA (0.48) GAAPKMKMT2AACHEBACE1
SCHEMBL2888423 0.88 GAA (0.47) GAAPKMKMT2AACHEBACE1
SCHEMBL641226 0.87 STS (0.56) GAAPKMKMT2AACHEBACE1
SCHEMBL641275 0.87 ACHE (0.69) GAAPKMKMT2AACHEBACE1
SCHEMBL9965416 0.86 GAA (0.57) GAAPKMKMT2AACHEBACE1
SCHEMBL641303 0.86 GAA (0.57) GAAPKMKMT2AACHEBACE1
SCHEMBL640994 0.86 ACHE (0.51) GAAPKMKMT2AACHEBACE1
SCHEMBL643978 0.84 MAPT (0.48) GAAPKMKMT2AALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 GAA 4841/4885PKM 3744/4885KMT2A 1997/4885

“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.