SCHEMBL14044940

SCHEMBL14044940

CC[C@H]1Cc2ccc(O)cc2CC[C@]12NS(=O)(=O)c1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 2/20 0.34
GLA P06280 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14544032 0.81 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL14044941 0.75 PSEN1 (0.49)
SCHEMBL14019411 0.70 NR3C1 (0.36) OPRM1OPRL1KCNH2MEN1KMT2A
SCHEMBL14612108 0.61 MEN1 (0.32) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL14612069 0.61 LMNA (0.40) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL630379 0.60 CYP19A1 (0.60) MEN1KMT2ALMNACYP2D6MAPT
SCHEMBL7685977 0.59 KMT2A (0.35) MEN1KMT2AGAAKDM4EUSP2
SCHEMBL11248429 0.59 MEN1 (0.50) KCNH2MEN1KMT2AGAAKDM4E
SCHEMBL30666908 0.58 KDM1A (0.43) MEN1KMT2ACYP2C9
SCHEMBL26371283 0.58 CYP19A1 (0.56) OPRM1MEN1GLAKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435748-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2008-10-14 US disclosed
US-20070088063-A1 Gamma-secretase inhibitors CASTRO PINEIRO JOSE L 2007-04-19 US 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-20070088063-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 OPRM1 4240/4885OPRL1 3704/4885KCNH2 4469/4885

“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.