SCHEMBL5584644

SCHEMBL5584644

O[C@H](COc1cccc2[nH]ccc12)CN1CCC(O)(c2ccc3ccccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.59
SLC6A4 P31645 4/20 0.59
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53

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
Oxalic Acid SCHEMBL7814401 0.96 HTR1A (0.55) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL8400226 0.93 HTR1A (0.62) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL8399224 0.91 HTR1A (0.63) HTR1ASLC6A4
SCHEMBL8396250 0.91 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL8792783 0.91 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL8397898 0.90 HTR1A (0.55) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL8399026 0.90 ABCB1 (0.55) HTR1ASLC6A4
SCHEMBL8397985 0.90 HTR1A (0.65) HTR1ASLC6A4
SCHEMBL7887623 0.89 ABCB1 (0.61) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL8399086 0.89 HTR1A (0.54) HTR1ASLC6A4ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814084-B1 Indole derivative as 5-HT1A antagonist and as inhibitor of serotonine reuptake LILLY CO ELI (US) 2001-08-08 EP claimed
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US claimed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP claimed
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO claimed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
EP-0814084-B1 Indole derivative as 5-HT1A antagonist and as inhibitor of serotonine reuptake LILLY CO ELI (US) 2001-08-08 EP disclosed
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885SLC6A4 10/4885ADRB2 67/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885SLC6A4 10/4885ADRB2 67/4885

“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.