SCHEMBL643978

SCHEMBL643978

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CACNB4 O00305 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNG3 O60359 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNB3 P54284 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNG7 P62955 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNG1 Q06432 1/20 0.43

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
SCHEMBL10173975 0.96 MAPT (0.45) MAPTALDH1A1HPGDUBE2MDCUN1D1
SCHEMBL5149687 0.96 MAPT (0.45) MAPTALDH1A1HPGDUBE2MDCUN1D1
SCHEMBL2884743 0.89 MAPT (0.43) MAPTALDH1A1HPGDUBE2MDCUN1D1
SCHEMBL9965423 0.88 ALDH1A1 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9965411 0.88 LMNA (0.46) MAPTKMT2ALMNANPSR1TSHR
SCHEMBL9965404 0.87 MAPK14 (0.48) MAPTALDH1A1HPGDLMNA
SCHEMBL9965409 0.86 MEN1 (0.52) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL642484 0.86 ALDH1A1 (0.55) MAPTALDH1A1KDM4ECACNB4CACNA1A
SCHEMBL9965414 0.85 KMT2A (0.49) KMT2APKMGAANPSR1
SCHEMBL9965468 0.85 MAPT (0.46) MAPTALDH1A1HPGDATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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
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 (2 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 MAPT 4851/4885ALDH1A1 2109/4885HPGD 2590/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 MAPT 3621/4885ALDH1A1 58/4885HPGD 24/4885

“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.