SCHEMBL4670055

SCHEMBL4670055

CCOC(=O)N1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
POLB P06746 1/20 0.59
NOS2 P35228 5/20 0.58
NOS1 P29475 4/20 0.58
TP53 P04637 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.50
NOS3 P29474 2/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
DCTPP1 Q9H773 1/20 0.47

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
SCHEMBL11026402 0.92 MAPT (0.67) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL18546942 0.90 MAPT (0.54) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL18547352 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL4637044 0.89 MAPT (0.61) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL18546959 0.89 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL4636292 0.87 MAPT (0.62) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL4635816 0.86 NOS2 (0.59) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL4635973 0.86 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL18547377 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL18546967 0.85 MAPT (0.49) SMN1; SMN2MAPTALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP 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 (7 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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV SMN1; SMN2 3550/4885MAPT 3187/4885ALDH1A1 2313/4885
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 SMN1; SMN2 1950/4885MAPT 4473/4885ALDH1A1 528/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 SMN1; SMN2 2009/4885MAPT 4471/4885ALDH1A1 517/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 SMN1; SMN2 2009/4885MAPT 4471/4885ALDH1A1 517/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 SMN1; SMN2 4614/4885MAPT 2904/4885ALDH1A1 1241/4885
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 SMN1; SMN2 3320/4885MAPT 2221/4885ALDH1A1 839/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 SMN1; SMN2 4614/4885MAPT 2904/4885ALDH1A1 1241/4885

“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.