SCHEMBL5584716

SCHEMBL5584716

COc1ccc2cc(C3CCNCC3)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.69
QDPR P09417 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR6 P50406 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13698246 0.90 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1628502 0.84 SLC6A2 (0.51) HTR2CSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL239790 0.84 HTR2C (0.64) HTR2CQDPRHTR6MAOAMAOB
SCHEMBL3172248 0.83 SLC6A2 (0.50) HTR2CSLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL2800981 0.82 HTR2C (0.65) HTR2CQDPRMAOAMAOBMEN1
SCHEMBL7970364 0.81 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5757803 0.81 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5758612 0.81 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5758608 0.81 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7970359 0.81 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1164574-C Phenoxypropylamine compounds ������ҩ��ʽ���� 2004-09-01 CN 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
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN 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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 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 HTR2C 9/4885QDPR 214/4885SLC6A2 21/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885QDPR 214/4885SLC6A2 21/4885

“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.