SCHEMBL6208925

SCHEMBL6208925

COc1ccc(F)cc1[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
NFE2L2 Q16236 2/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ERN1 O75460 1/20 0.39
PTGS1 P23219 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5127252 0.84 KDM4E (0.39) KDM4ENFE2L2TSHRSMN1; SMN2HTT
SCHEMBL16954046 0.80 NFE2L2 (0.42) KDM4ENFE2L2TSHRSMN1; SMN2HTT
SCHEMBL2131318 0.80 ALDH1A1 (0.61) KDM4EUSP2ALDH1A1
SCHEMBL5805909 0.80 NFE2L2 (0.42) KDM4ENFE2L2TSHRSMN1; SMN2HTT
SCHEMBL11673151 0.78 ALDH1A1 (0.40) KDM4ETSHRUSP2ALDH1A1CYP3A4
SCHEMBL1799316 0.78 CA12 (0.56) NFE2L2HTTALDH1A1CYP3A4CYP1A2
SCHEMBL95805 0.76 PTGDR2 (0.48) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL3880131 0.76 CYP3A4 (0.54) KDM4ENFE2L2TSHRSMN1; SMN2HTT
SCHEMBL97524 0.74 CA1 (0.55) TSHRSMN1; SMN2HTTALDH1A1PTGS1
SCHEMBL166380 0.73 NFE2L2 (0.61) KDM4ENFE2L2TSHRALDH1A1CYP3A4

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
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 KDM4E 1277/4885NFE2L2 288/4885TSHR 3288/4885

“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.