SCHEMBL1045800

SCHEMBL1045800

NCCC(Oc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.71
SLC6A2 P23975 4/20 0.71
SLC6A3 Q01959 2/20 0.71
KCNK2 O95069 1/20 0.71
KCNH2 Q12809 1/20 0.71
CACNA1C Q13936 1/20 0.71
SLC7A5 Q01650 7/20 0.56
HRH1 P35367 1/20 0.54
NOS2 P35228 2/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL5398425 0.88 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7056008 0.88 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL684955 0.88 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5405168 0.88 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7053112 0.88 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7049684 0.88 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17278141 0.87 SLC7A5 (0.73) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Hydrochloric Acid SCHEMBL6527457 0.85 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL3750512 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415641 0.84 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP claimed
US-5068432-A Amination and etherification of a halo alcohol and resolution of a racemic mixture ALDRICH CHEMICAL COMPANY, INC. (US) 1991-11-26 US claimed
WO-2026013142-A3 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS CONNECTA THERAPEUTICS, S.L. (ES) 2026-05-07 WO disclosed
EP-4678628-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS Connecta Theapeutics, S.L. (ES) 2026-01-14 EP disclosed
EP-4678628-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS Connecta Theapeutics, S.L. (ES) 2026-01-14 EP disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-4895845-A RESERPINE AND TRAZODONE, BUPROPION OR FLUOXETINE ANTIDEPRESSANT SEED JOHN C (US) 1990-01-23 US disclosed
US-4895845-A RESERPINE AND TRAZODONE, BUPROPION OR FLUOXETINE ANTIDEPRESSANT SEED JOHN C (US) 1990-01-23 US disclosed
EP-0336753-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4584404-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1986-04-22 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 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 (3 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R SLC6A4 111/4885SLC6A2 171/4885SLC6A3 138/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP SLC6A4 76/4885SLC6A2 102/4885SLC6A3 208/4885
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A SLC6A4 35/4885SLC6A2 94/4885SLC6A3 253/4885

“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.