SCHEMBL5584250

SCHEMBL5584250

COc1cc(C2CCN(C[C@H](O)COc3cccc4oc(-c5nnc(C)o5)cc34)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
HTR1A P08908 12/20 0.43
SLC6A4 P31645 3/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 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
SCHEMBL14571640 0.95 CCR1 (0.43) CCR1HTR1ASLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL5584624 0.94 CCR1 (0.43) CCR1HTR1ASLC6A4MEN1KMT2A
SCHEMBL29723907 0.94 CCR1 (0.45) CCR1HTR1ASLC6A4
SCHEMBL5584254 0.94 CCR1 (0.45) CCR1HTR1ASLC6A4
SCHEMBL5584385 0.94 CCR1 (0.45) CCR1HTR1ASLC6A4
SCHEMBL14571546 0.94 CCR1 (0.45) CCR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL21772205 0.93 CCR1 (0.44) CCR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4763026 0.93 CCR1 (0.44) CCR1HTR1ASLC6A4
SCHEMBL14571641 0.93 CCR1 (0.44) CCR1HTR1ASLC6A4MAPT
SCHEMBL5584460 0.93 HTR1A (0.45) CCR1HTR1ASLC6A4MAPT

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 7 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

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

“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.