SCHEMBL250261

SCHEMBL250261

COc1ccc2c(c1)CCC[N]2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.43
DRD1 P21728 6/20 0.42
DRD2 P14416 6/20 0.42
DRD3 P35462 6/20 0.42
DRD5 P21918 5/20 0.42
DRD4 P21917 4/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B2 P19099 2/20 0.41
KDM1A O60341 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1365998 0.89 BCL2 (0.46) BCL2DRD1DRD2DRD3DRD5
SCHEMBL9404827 0.79 SLC2A1 (0.44) HSD17B10CYP1A2CYP2D6
SCHEMBL1091474 0.76 ALDH1A1 (0.38)
SCHEMBL5115297 0.74 MAPT (0.45) DRD1DRD2DRD3DRD5DRD4
SCHEMBL8419347 0.74 DRD1 (0.48) BCL2DRD1DRD2DRD3DRD5
SCHEMBL31028084 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL30299229 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL1506557 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL577378 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL208742 0.72 ACHE (0.41) CYP19A1CYP11B2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 EP disclosed
EP-2332912-A1 Heteroarylaminosulfonylphenylderivates for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
EP-2327701-A1 Heteroarylaminosulfonylphenyl derivatives for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-01 EP disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 WO disclosed
US-5958934-A 5-HT 2B ANTAGONIST SYNTEX (U.S.A.) INC. (US) 1999-09-28 US disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US disclosed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US disclosed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 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 (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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 BCL2 2438/4885DRD1 4568/4885DRD2 3809/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 BCL2 2438/4885DRD1 4568/4885DRD2 3809/4885
US-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 BCL2 3108/4885DRD1 241/4885DRD2 484/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 BCL2 2438/4885DRD1 4568/4885DRD2 3809/4885

“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.