SCHEMBL2096895

SCHEMBL2096895

CN([C]=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.43
ACHE P22303 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CES1 P23141 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
AOC3 Q16853 2/20 0.34
PYCR1 P32322 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.34
FFAR1 O14842 1/20 0.34
MPO P05164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5182072 0.87 ALDH1A1 (0.42) MAPTCYP1A2KMT2AMEN1NPC1
SCHEMBL2091671 0.78 ALDH1A1 (0.52) ACHECES1MAPTCYP2C19KMT2A
SCHEMBL2095868 0.76 CES2 (0.32) CES1
SCHEMBL2096457 0.76 ALDH1A1 (0.45) CES1MAPTAOC3PYCR1CYP1A2
SCHEMBL7826817 0.76 APP (0.43) APPACHEMAPTPKMCYP1A2
SCHEMBL27741828 0.76 TDP1 (0.54) APPACHEGAAMAPTCYP1A2
SCHEMBL2090723 0.76 CYP2A6 (0.38) CES1TAAR1MAPTPYCR1KDM4E
SCHEMBL2099515 0.76 APP (0.43) APPCES1PYCR1ALDH1A1ALOX15
SCHEMBL2093673 0.76 CES2 (0.34) CES1KMT2ANPC1RAB9A
SCHEMBL2095093 0.76 KIF11 (0.47) CES1PYCR1SMN1; SMN2ALDH1A1TSHR

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US claimed
CN-101039940-A Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2007-09-19 CN claimed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US claimed
US-10919874-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2021-02-16 US disclosed
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2019-12-19 US disclosed
US-10370354-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2019-08-06 US disclosed
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 US disclosed
EP-3351541-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. (US) 2018-07-25 EP disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 US disclosed
EP-2788343-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (NC) INC (US) 2018-02-28 EP disclosed
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2016-07-28 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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
CN-1095383-A The 6-azepine androstenone that replaces GLAXO INC (US) 1994-11-23 CN 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 (8 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-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GAA, GPX1 APP 1382/4885ACHE 71/4885DDB1 2379/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 APP 4262/4885ACHE 4670/4885DDB1 524/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 APP 1382/4885ACHE 71/4885DDB1 2379/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 APP 2852/4885ACHE 303/4885DDB1 4423/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO APP 1437/4885ACHE 101/4885DDB1 2475/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 APP 2554/4885ACHE 2901/4885DDB1 2041/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO APP 1437/4885ACHE 101/4885DDB1 2475/4885
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO APP 1437/4885ACHE 101/4885DDB1 2475/4885

“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.