SCHEMBL6212293

SCHEMBL6212293

O=C(c1ccc(F)cc1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.88
CYP2C19 P33261 3/20 0.88
CYP1A2 P05177 2/20 0.88
CYP3A4 P08684 1/20 0.88
CYP2D6 P10635 1/20 0.88
GLA P06280 1/20 0.82
MAPK1 P28482 1/20 0.82
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
SMN1; SMN2 Q16637 4/20 0.70
HSD11B1 P28845 1/20 0.63
GAA P10253 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL6211538 0.94 CYP1A2 (0.78) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL6209558 0.86 CYP2C19 (0.81) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL10448792 0.85 CYP2C19 (0.69) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL6236172 0.78 HSD11B1 (1.00) SMN1; SMN2HSD11B1GAALMNAALDH1A1
SCHEMBL3044364 0.78 HSD11B1 (0.77) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL27943800 0.77 HSD11B1 (0.74) SMN1; SMN2HSD11B1GAALMNAALDH1A1
SCHEMBL6212608 0.77 HSD11B1 (0.74) CYP2C19SMN1; SMN2HSD11B1GAALMNA
SCHEMBL12184237 0.76 CYP2C19 (0.70) CYP2C9CYP2C19CYP1A2KMT2AMEN1
SCHEMBL13873393 0.76 CYP2C9 (0.76) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL6344408 0.76 HSD11B1 (0.72) SMN1; SMN2HSD11B1GAALMNAALDH1A1

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 CYP2C9 482/4885CYP2C19 462/4885CYP1A2 53/4885

“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.