SCHEMBL3592250

SCHEMBL3592250

CN1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PPARG P37231 1/20 0.54
PANK3 Q9H999 8/20 0.53
CHEK1 O14757 1/20 0.52
HRH4 Q9H3N8 2/20 0.51
SMO Q99835 3/20 0.51
GPR119 Q8TDV5 1/20 0.51
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL14844043 0.84 SMO (0.56) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL29514660 0.84 KDM4E (0.54) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL3048925 0.84 KDM4E (0.54) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL3592248 0.83 PANK3 (0.53) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL2322911 0.83 HTR3A (0.47) ALDH1A1L3MBTL1PPARGPANK3HRH4
SCHEMBL578498 0.83 HTR3A (0.47) KDM4EALDH1A1L3MBTL1PPARGHRH4
SCHEMBL4287978 0.83 DRD2 (0.53) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL3051541 0.83 CNR2 (0.54) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL2828952 0.83 SMO (0.53) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL1743219 0.83 PANK3 (0.56) KDM4EALDH1A1L3MBTL1PANK3SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
CN-110467629-B Benzoquinone derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2022-04-08 CN disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
WO-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 WO disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 US disclosed
EP-1114048-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS Bombrun, Agnès (FR) 2001-07-11 EP disclosed
WO-2000015639-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-03-23 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 (5 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA KDM4E 3334/4885ALDH1A1 1354/4885L3MBTL1 3805/4885
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA KDM4E 2261/4885ALDH1A1 2818/4885L3MBTL1 3780/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD KDM4E 2567/4885ALDH1A1 3638/4885L3MBTL1 4442/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KDM4E 1763/4885ALDH1A1 2743/4885L3MBTL1 4596/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KDM4E 1763/4885ALDH1A1 2743/4885L3MBTL1 4596/4885

“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.