SCHEMBL7908231

SCHEMBL7908231

CCN1CCC(CCN2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
HRH3 Q9Y5N1 2/20 0.41
HSD11B1 P28845 1/20 0.41
GNAO1 P09471 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13804415 0.98 CYP1A2 (0.48) CYP1A2HRH3HSD11B1GNAO1SMN1; SMN2
SCHEMBL22520648 0.91 HRH3 (0.44) HRH3HSD11B1GNAO1SMN1; SMN2
SCHEMBL13062577 0.86 CYP1A2 (0.46) CYP1A2HRH3HSD11B1GNAO1
SCHEMBL13061302 0.86 GNAO1 (0.42) HRH3HSD11B1GNAO1SMN1; SMN2
SCHEMBL26521119 0.86 CARM1 (0.47) HRH3HSD11B1GNAO1SMN1; SMN2
SCHEMBL24754307 0.83 NCF1 (0.45) HRH3HSD11B1GNAO1SMN1; SMN2
SCHEMBL12431826 0.83 HSD11B1 (0.57) CYP1A2HSD11B1
SCHEMBL3437028 0.83 CYP1A2 (0.48) CYP1A2HRH3GNAO1
SCHEMBL22967517 0.82 CYP1A2 (0.40) CYP1A2HRH3GNAO1SMN1; SMN2CYP2D6
SCHEMBL22301684 0.82 GNAO1 (0.53) HRH3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
WO-2008106619-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-04 WO disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP1A2 705/4885HRH3 1271/4885HSD11B1 2093/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CYP1A2 705/4885HRH3 1271/4885HSD11B1 2093/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP1A2 507/4885HRH3 3631/4885HSD11B1 1397/4885
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 CYP1A2 909/4885HRH3 1554/4885HSD11B1 2927/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS CYP1A2 507/4885HRH3 3631/4885HSD11B1 1397/4885

“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.