SCHEMBL5584970

SCHEMBL5584970

OC1(c2cc3ccccc3s2)CC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.51
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL23878715 0.85 SIGMAR1 (0.60) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL29892064 0.81 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5235159 0.81 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11883601 0.78 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4143774 0.77 SIGMAR1 (0.48) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL25167079 0.75 DRD2 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4015732 0.74 OPRL1 (0.59) SIGMAR1
SCHEMBL8704495 0.73 OPRL1 (0.57) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3214484 0.71 OPRM1 (0.47) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11880400 0.71 SIGMAR1 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1

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 6 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
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 SIGMAR1 50/4885CHRM2 250/4885CHRM4 272/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SIGMAR1 50/4885CHRM2 250/4885CHRM4 272/4885

“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.