SCHEMBL5584900

SCHEMBL5584900

CCc1nnc(-c2cc3c(OCC(O)CN4CCC(c5ccc(C)c(C)c5)CC4)cccc3o2)o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.41
LMNA P02545 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
CCR1 P32246 1/20 0.40
SLC6A4 P31645 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14571542 1.00 HTR1A (0.41) HTR1ALMNANPY1RNPY2RCCR1
Hydrochloric Acid SCHEMBL6805442 0.98 LMNA (0.41) HTR1ALMNANPY1RNPY2RCCR1
SCHEMBL14571585 0.93 CCR1 (0.40) HTR1ALMNANPY1RNPY2RCCR1
Hydrochloric Acid SCHEMBL5584833 0.92 LMNA (0.40) HTR1ALMNANPY1RNPY2RCCR1
SCHEMBL14571538 0.92 CCR1 (0.42) HTR1ALMNANPY1RNPY2RCCR1
SCHEMBL14571541 0.90 CCR1 (0.41) HTR1ACCR1SLC6A4DRD4MEN1
SCHEMBL14571555 0.90 HTR1A (0.46) HTR1ASLC6A4DRD4
Hydrochloric Acid SCHEMBL5585015 0.90 LMNA (0.42) HTR1ALMNANPY1RNPY2RCCR1
SCHEMBL6805278 0.89 HTR1A (0.41) HTR1ALMNANPY1RNPY2RCCR1
SCHEMBL14571573 0.89 CCR1 (0.40) HTR1ACCR1SLC6A4DRD4

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 HTR1A 1/4885LMNA 3559/4885NPY1R 164/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885LMNA 3559/4885NPY1R 164/4885

“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.