SCHEMBL5585398

SCHEMBL5585398

C1=C(c2ccc3ccccc3c2)CCNC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
HTR2C P28335 8/20 0.62
QDPR P09417 3/20 0.58
HTR6 P50406 2/20 0.46
KHK P50053 1/20 0.44
NAMPT P43490 1/20 0.44
HTR7 P34969 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
SCHEMBL9086997 0.95 SIGMAR1 (0.62) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL9086992 0.87 HTR2C (0.56) SIGMAR1HTR2CQDPRHTR6
SCHEMBL6312184 0.83 QDPR (0.55) SIGMAR1HTR2CQDPRHTR6KHK
SCHEMBL7955514 0.83 QDPR (0.55) SIGMAR1HTR2CQDPRKHK
SCHEMBL14085322 0.82 GSTP1 (0.41) SIGMAR1HTR2CQDPR
Water SCHEMBL7966495 0.80 QDPR (0.58) SIGMAR1HTR2CQDPRHTR6KHK
SCHEMBL3899585 0.80 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6NAMPT
SCHEMBL415545 0.79 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL15534340 0.79 HTR6 (0.51) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL9593974 0.78 SIGMAR1 (0.57) SIGMAR1HTR2CQDPRHTR6

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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO 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-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0687267-B1 PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR MERCK SHARP & DOHME (GB) 1999-09-01 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
US-5700809-A Pyrrolo-pyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 US disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 EP disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 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 (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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SIGMAR1 50/4885HTR2C 9/4885QDPR 214/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SIGMAR1 50/4885HTR2C 9/4885QDPR 214/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 SIGMAR1 3885/4885HTR2C 2451/4885QDPR 405/4885

“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.