SCHEMBL1447393

SCHEMBL1447393

Clc1ccc(N2CC[N]CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.55
▸ KMT2A Q03164 1/20 0.50
▸ DRD2 P14416 5/20 0.46
▸ DRD4 P21917 4/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ TMEM97 Q5BJF2 3/20 0.46
▸ SIGMAR1 Q99720 3/20 0.46
▸ DRD3 P35462 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ PANK3 Q9H999 1/20 0.44
▸ OGA O60502 1/20 0.43
▸ DEGS1 O15121 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL16695272 0.84 CNR2 (0.73) CNR2KMT2ADRD2DRD4HTR7
SCHEMBL29656785 0.82 CNR2 (0.76) CNR2KMT2ADRD2DRD4HTR7
SCHEMBL1998095 0.81 CNR2 (0.55) CNR2KMT2ADRD2DRD4HTR7
SCHEMBL194226 0.79 HTR3A (0.57) CNR2KMT2AHTR7SIGMAR1HTR1A
SCHEMBL6125262 0.79 KMT2A (0.58) CNR2KMT2ADRD2DRD4HTR7
SCHEMBL3911609 0.79 CNR2 (0.64) CNR2KMT2AALDH1A1
SCHEMBL972745 0.79 CNR2 (0.54) CNR2KMT2ADRD2DRD4HTR7
Hydrochloric Acid SCHEMBL21521416 0.78 HTR3A (0.55) CNR2KMT2AHTR7SIGMAR1HTR1A
SCHEMBL4677360 0.77 GRIN2D (0.53) CNR2KMT2APANK3OGAALDH1A1
SCHEMBL6947627 0.77 KMT2A (0.53) CNR2KMT2ADRD2DRD4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 — — EP claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 — — US claimed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 — — EP claimed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 — — WO claimed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
EP-3471729-A1 THERAPEUTIC COMPOUNDS Rutgers, the State University of New Jersey (US) 2019-04-24 — — EP disclosed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 — — EP disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
WO-2017222930-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-28 — — WO disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 — — EP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 — — EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 — — WO disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 — — WO disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 — — WO disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 — — EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 — — US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 — — 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 (4 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-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP CNR2 3628/4885KMT2A 2164/4885DRD2 4437/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CNR2 1674/4885KMT2A 1032/4885DRD2 313/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA CNR2 1674/4885KMT2A 1032/4885DRD2 313/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CNR2 1674/4885KMT2A 1032/4885DRD2 313/4885

“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.

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