SCHEMBL5584439

SCHEMBL5584439

Cc1nnc(-c2cc3c(OC[C@@H](O)CN4CCC(c5ccc6c(c5)OCC6)CC4)cccc3o2)o1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
DRD4 P21917 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 14/20 0.38
SLC6A4 P31645 4/20 0.37
DRD2 P14416 2/20 0.37

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
SCHEMBL14571639 0.96 CCR1 (0.41) CCR1DRD4CYP1A2CYP2C19HTR1A
Hydrochloric Acid SCHEMBL6805235 0.94 CCR1 (0.41) CCR1DRD4CYP1A2CYP2C19HTR1A
SCHEMBL6804576 0.94 CCR1 (0.44) CCR1DRD4CYP1A2CYP2C19HTR1A
SCHEMBL14571591 0.94 CCR1 (0.44) CCR1DRD4CYP1A2CYP2C19HTR1A
Hydrochloric Acid SCHEMBL5584208 0.94 CCR1 (0.43) CCR1HTR1ASLC6A4
Bromide SCHEMBL5584450 0.94 CCR1 (0.43) CCR1DRD4CYP1A2CYP2C19HTR1A
SCHEMBL14571567 0.92 CCR1 (0.44) CCR1DRD4CYP1A2CYP2C19HTR1A
Hydrochloric Acid SCHEMBL6804243 0.91 CCR1 (0.43) CCR1DRD4CYP1A2CYP2C19HTR1A
SCHEMBL14571596 0.90 CCR1 (0.43) CCR1DRD4HTR1ASLC6A4
SCHEMBL5584126 0.90 CCR1 (0.41) CCR1DRD4CYP1A2CYP2C19HTR1A

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 CCR1 2772/4885DRD4 42/4885CYP1A2 473/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CCR1 2772/4885DRD4 42/4885CYP1A2 473/4885

“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.