SCHEMBL5584819

SCHEMBL5584819

COc1ccc(C2CCN(C[C@H](O)COc3cccc4oc(-c5nnc(C)o5)cc34)CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.44
SLC6A4 P31645 3/20 0.44
CCR1 P32246 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5584460 0.95 HTR1A (0.45) HTR1ASLC6A4CCR1LMNA
SCHEMBL14571538 0.93 CCR1 (0.42) HTR1ASLC6A4CCR1MEN1KMT2A
SCHEMBL14571640 0.93 CCR1 (0.43) HTR1ASLC6A4CCR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5584624 0.92 CCR1 (0.43) HTR1ASLC6A4CCR1MEN1KMT2A
SCHEMBL5584250 0.92 CCR1 (0.44) HTR1ASLC6A4CCR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5585015 0.92 LMNA (0.42) HTR1ASLC6A4CCR1MEN1KMT2A
SCHEMBL14571641 0.91 CCR1 (0.44) HTR1ASLC6A4CCR1LMNANPY1R
Hydrochloric Acid SCHEMBL5584361 0.90 CCR1 (0.44) HTR1ASLC6A4CCR1LMNANPY1R
SCHEMBL6209369 0.90 CCR1 (0.45) HTR1ASLC6A4CCR1LMNANPY1R
SCHEMBL14571711 0.90 HTR1A (0.47) HTR1ASLC6A4CCR1MEN1KMT2A

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 8 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-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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

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 10/4885CCR1 2772/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885SLC6A4 10/4885CCR1 2772/4885

“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.