SCHEMBL642196

SCHEMBL642196

CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
KMT2A Q03164 1/20 0.53
MGLL Q99685 3/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
TP53 P04637 1/20 0.44
ALOX15 P16050 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
SCHEMBL14639718 0.90 GAA (0.48) GAAPKMACHEBACE1KMT2A
SCHEMBL643168 0.90 GAA (0.60) GAAPKMACHEBACE1KMT2A
SCHEMBL9965426 0.89 GAA (0.56) GAAPKMACHEBACE1KMT2A
SCHEMBL9965428 0.89 GAA (0.53) GAAPKMACHEBACE1KMT2A
SCHEMBL641308 0.88 STS (0.55) GAAPKMACHEBACE1KMT2A
SCHEMBL9965415 0.87 ACHE (0.68) GAAPKMACHEBACE1KMT2A
SCHEMBL10173892 0.87 GAA (0.54) GAAPKMACHEBACE1KMT2A
SCHEMBL9965459 0.86 GAA (0.53) GAAPKMACHEBACE1KMT2A
SCHEMBL9965453 0.86 POLB (0.51) GAAPKMACHEBACE1KMT2A
SCHEMBL10173900 0.86 PTPN1 (0.53) GAAPKMACHEBACE1KMT2A

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 3744/4885ACHE 3829/4885

“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.