SCHEMBL5584515

SCHEMBL5584515

Cc1cnc(-c2cc3c(OCC(O)CN4CCC(c5ccc(Cl)c(Cl)c5)CC4)cccc3o2)o1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
HTR1A P08908 17/20 0.43
SLC6A4 P31645 3/20 0.41

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
SCHEMBL14571536 1.00 CCR1 (0.45) CCR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5584289 0.99 CCR1 (0.44) CCR1HTR1ASLC6A4
SCHEMBL5584422 0.92 CCR1 (0.49) CCR1HTR1ASLC6A4
SCHEMBL14571613 0.92 CCR1 (0.43) CCR1HTR1ASLC6A4
SCHEMBL14571575 0.91 HTR1A (0.42) CCR1HTR1ASLC6A4
SCHEMBL14571561 0.91 HTR1A (0.44) CCR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL6809883 0.90 CCR1 (0.42) CCR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5584448 0.90 HTR1A (0.42) CCR1HTR1ASLC6A4
SCHEMBL5584869 0.89 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL5584254 0.89 CCR1 (0.45) CCR1HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US claimed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US claimed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US claimed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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

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.