SCHEMBL5207442

SCHEMBL5207442

CCOc1ccc(Br)c(CC2CCN(C(=O)Cc3ccccc3Cl)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.55
SLC6A4 P31645 5/20 0.55
CYP2D6 P10635 1/20 0.54
CCR3 P51677 7/20 0.49
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5205135 0.84 CCR3 (0.52) HTR1ASLC6A4CCR3MAPK1KDM4E
SCHEMBL5205031 0.81 HTR1A (0.81) HTR1ASLC6A4CYP2D6
Hydrochloric Acid SCHEMBL5208198 0.80 HTR1A (0.80) HTR1ASLC6A4CYP2D6
Hydrochloric Acid SCHEMBL5208193 0.77 HTR1A (0.55) HTR1ASLC6A4CYP2D6
SCHEMBL6409944 0.75 HTR1A (0.56) HTR1ASLC6A4CYP2D6
SCHEMBL6411160 0.74 HTR1A (0.54) HTR1ASLC6A4CYP2D6
SCHEMBL5204948 0.71 HTR1A (0.62) HTR1ASLC6A4CYP2D6
SCHEMBL5205147 0.71 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL5208014 0.71 HTR1A (0.80) HTR1ASLC6A4CYP2D6
SCHEMBL5206610 0.70 HTR1A (0.91) HTR1ASLC6A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304324-B1 SEROTONIN REUPTAKE INHIBITORS DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-03 EP disclosed
US-6787560-B2 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-09-07 US disclosed
US-20030191126-A1 Psychological disorders; antidepressants SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-10-09 US disclosed
EP-1304324-A1 SEROTONIN REUPTAKE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-23 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 (1 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-20030191126-A1 Psychological disorders; antidepressants CRH, HTR2C, HTR1A HTR1A 3/4885SLC6A4 10/4885CYP2D6 202/4885

“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.