SCHEMBL1120

SCHEMBL1120

CN(C)CCCC1(c2ccccc2)OCc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.75

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
Hydrochloric Acid SCHEMBL143594 0.99 SLC6A4 (0.73) SLC6A4
SCHEMBL339642 0.90 SLC6A4 (0.75) SLC6A4
SCHEMBL2009409 0.90 SLC6A4 (0.75) SLC6A4
SCHEMBL2006721 0.90 SLC6A4 (0.75) SLC6A4
SCHEMBL7688733 0.89 SLC6A4 (0.73) SLC6A4
SCHEMBL2872832 0.87 SLC6A4 (0.68) SLC6A4
SCHEMBL15152288 0.86 SLC6A4 (1.00) SLC6A4
SCHEMBL15152289 0.86 SLC6A4 (1.00) SLC6A4
SCHEMBL15152141 0.86 SLC6A4 (1.00) SLC6A4
Hydrochloric Acid SCHEMBL15152150 0.85 SLC6A4 (0.98) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474580-B1 Use of 1-[3-(dimethylamino)propyl]-1-phenylphthalenes for the treatment of cerebrovascular disorders LUNDBECK & CO AS H (DK) 1994-09-28 EP claimed
US-5296507-A Treatment of cerbrovascular disorders H.LUNDBECK A/S (DK) 1994-03-22 US claimed
EP-0474580-A2 Use of 1-[3-(dimethylamino)propyl]-1-phenylphthalenes for the treatment of cerebrovascular disorders H. LUNDBECK A/S (DK) 1992-03-11 EP claimed
JP-4244024-A None JP disclosed
WO-2013110313-A1 SELECTIVE ALLOSTERIC MODULATORS OF THE SEROTONIN TRANSPORTER H. LUNDBECK A/S (DK) 2013-08-01 WO disclosed
US-8242159-B2 1,3-dihydro-5-isobenzofurancarbonitrile derivatives and pharmaceutical composition thereof for the treatment of premature ejaculation DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-08-14 US disclosed
CN-101910146-A Novel 1,3-dihydro-5-isobenzofurancarbonitrile derivatives and pharmaceutical composition thereof for the treatment of premature ejaculation DONG A PHARM CO LTD 2010-12-08 CN disclosed
US-20100240725-A1 NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION DONG-A PHARMACEUTICAL. CO., LTD (KR) 2010-09-23 US disclosed
WO-2008059514-A2 PROCESS FOR PREPARING ESCITALOPRAM CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
EP-1502907-A1 A process for the preparation of (2-hydroxymethyl-phenyl)-phenyl-methanol derivatives Synteco S.p.A. (IT) 2005-02-02 EP disclosed
EP-0474580-B1 Use of 1-[3-(dimethylamino)propyl]-1-phenylphthalenes for the treatment of cerebrovascular disorders LUNDBECK & CO AS H (DK) 1994-09-28 EP disclosed
US-5296507-A Treatment of cerbrovascular disorders H.LUNDBECK A/S (DK) 1994-03-22 US disclosed
US-5296507-A Treatment of cerbrovascular disorders H.LUNDBECK A/S (DK) 1994-03-22 US disclosed
JP-H04244024-A PREVENTING AND TREATING AGENT FOR DEMENSIA AND CEREBROVASCULAR DISORDER AND INHIBITOR OF BLOOD PLATELET AGGREGATION ZERIA PHARMACEUT CO LTD 1992-09-01 JP disclosed
EP-0474580-A2 Use of 1-[3-(dimethylamino)propyl]-1-phenylphthalenes for the treatment of cerebrovascular disorders H. LUNDBECK A/S (DK) 1992-03-11 EP disclosed
EP-0474580-A2 Use of 1-[3-(dimethylamino)propyl]-1-phenylphthalenes for the treatment of cerebrovascular disorders H. LUNDBECK A/S (DK) 1992-03-11 EP disclosed
EP-0171943-B1 NOVEL INTERMEDIATE AND METHOD FOR ITS PREPARATION H. LUNDBECK A/S (DK) 1988-11-17 EP disclosed
US-4650884-A 4-[4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile (racemic citalopram diol) as intermediate to citalopram H. LUNDBECK A/S (DK) 1987-03-17 US disclosed
EP-0171943-A1 Novel intermediate and method for its preparation H. LUNDBECK A/S (DK) 1986-02-19 EP 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 (1 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-20100240725-A1 NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION SLC18A2, SLC18A1, SLC6A4 SLC6A4 3/4885

“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.