SCHEMBL251465

SCHEMBL251465

CN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.49
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PIM1 P11309 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCND3 P30281 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CCNA2 P20248 6/20 0.42
▸ CDK2 P24941 6/20 0.42
▸ CCNA1 P78396 6/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NCF1 P14598 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ MTOR P42345 1/20 0.40
▸ CA2 P00918 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
SCHEMBL12141731 0.87 ASIC3 (0.50) ASIC3PDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL14922307 0.85 ASIC3 (0.49) ASIC3PDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL250634 0.85 NOTUM (0.47) PDE3BPDE3AALDH1A1POLBPRMT6
SCHEMBL5017452 0.85 NOTUM (0.47) PDE3BPDE3AALDH1A1POLBPRMT6
SCHEMBL22914786 0.82 ENPP2 (0.46) ALDH1A1NCF1MTOR
SCHEMBL250868 0.82 ALDH1A1 (0.51) PDE3BPDE3AALDH1A1NCF1KDM4E
SCHEMBL29959068 0.80 MAPT (0.59) ASIC3PDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL880662 0.80 MAPT (0.59) ASIC3PDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL2431131 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1NCF1POLBKDM4E
SCHEMBL29493267 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1NCF1POLBKDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 — — EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 — — EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 — — WO disclosed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups — 2004-09-08 — — CN disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 — — US disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 — — CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 — — CN disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 — — US disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 — — CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 — — CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 — — CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 — — CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 — — CN disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 — — 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 ASIC3 2985/4885PDE3B 4775/4885PDE3A 4735/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 ASIC3 1615/4885PDE3B 4/4885PDE3A 6/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR ASIC3 3368/4885PDE3B 4818/4885PDE3A 4826/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 ASIC3 3434/4885PDE3B 3844/4885PDE3A 4303/4885

“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.

Send feedback