SCHEMBL700627

SCHEMBL700627

CC(=O)CC1(O)C(=O)Nc2ccc(F)cc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.69
BRD4 O60885 2/20 0.54
TDO2 P48775 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CBX7 O95931 2/20 0.45
CDYL Q9Y232 2/20 0.45
CDYL2 Q8N8U2 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
GAA P10253 1/20 0.44
NQO2 P16083 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL12440856 0.88 IDO1 (0.54) IDO1TDO2KMT2AMAPTCYP1A2
SCHEMBL699811 0.83 IDO1 (0.71) IDO1BRD4TDO2MAPTCYP1A2
SCHEMBL699106 0.82 IDO1 (0.48) IDO1BRD4TDO2KMT2AMAPT
SCHEMBL15264189 0.78 IDO1 (0.63) IDO1BRD4TDO2MAPTCBX7
SCHEMBL25435983 0.78 IDO1 (0.77) IDO1BRD4TDO2MAPTGAA
SCHEMBL16377152 0.77 PGR (0.45) IDO1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL30132814 0.76 CYP1A2 (0.53) IDO1BRD4KMT2AMAPTCYP1A2
SCHEMBL25313851 0.76 CYP1A2 (0.53) IDO1BRD4KMT2AMAPTCYP1A2
SCHEMBL17370968 0.75 ALDH1A1 (0.50) IDO1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL18722716 0.75 GSK3B (0.67) KMT2ACBX7CDYLCDYL2CDY1; CDY1B

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
CN-108329311-B Tricyclic compound as selective estrogen receptor down-regulator and application thereof 南京圣和药业股份有限公司 2022-02-22 CN disclosed
WO-2018130124-A1 TRICYCLIC COMPOUND AS SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATOR AND USE THEREOF 南京圣和药业股份有限公司 2018-07-19 WO disclosed
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP disclosed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US disclosed
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 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-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY OPRK1, OPRL1, OPRD1 IDO1 3506/4885BRD4 3884/4885TDO2 3086/4885

“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.