SCHEMBL4767736

SCHEMBL4767736

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
STS P08842 3/20 0.51
SLC6A4 P31645 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CREBBP Q92793 1/20 0.46
THRB P10828 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7629914 0.95 OPRM1 (0.48) OPRM1OPRK1OPRL1STSSLC6A4
SCHEMBL6644118 0.86 KDM4E (0.46) STSMAPTKDM4EBRD4ALDH1A1
SCHEMBL3713574 0.85 STS (0.45) OPRM1OPRK1OPRL1STSSLC6A4
SCHEMBL27598011 0.83 OPRM1 (0.59) OPRM1OPRK1OPRL1SLC6A4KDM4E
SCHEMBL29212348 0.82 JAK2 (0.42) STSMAPTKDM4EBRD4ALDH1A1
SCHEMBL31270465 0.82 JAK2 (0.42) STSMAPTKDM4EBRD4ALDH1A1
SCHEMBL557776 0.82 KDM4E (0.70) MAPTKMT2AKDM4EBRD4ALDH1A1
SCHEMBL6381506 0.81 STS (0.46) STSMAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1703924 0.81 KDM4E (0.68) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL19284622 0.81 STS (0.53) STSMAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415737-C Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2008-09-03 CN disclosed
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
US-7276508-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2007-10-02 US disclosed
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 EP disclosed
CN-1255405-C Substituted pyrazoles ORTHO MCNEIL PHARM INC (US) 2006-05-10 CN disclosed
EP-1309592-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-04-26 EP disclosed
US-20050234102-A1 Substituted pyrazoles CAI HUI 2005-10-20 US disclosed
US-6951851-B2 Substituted pyrazoles CAI HUI 2005-10-04 US disclosed
CN-1446211-A Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2003-10-01 CN disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO disclosed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 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 (3 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-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRL1 4813/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 OPRM1 4605/4885OPRK1 3202/4885OPRL1 3936/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRL1 4813/4885

“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.