SCHEMBL7013012

SCHEMBL7013012

Cc1cc(N2CCN(OCc3ccccc3)C(C(=O)O)C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM4 P08173 4/20 0.38
▸ AGTR2 P50052 2/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR1E P28566 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HTR2B P41595 1/20 0.36

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
SCHEMBL7012546 0.90 ACACB (0.39) AOC3ACACBCHRM1CHRM4MAPK1
SCHEMBL7010091 0.88 NR1H2 (0.41) AOC3ACACBCHRM1CHRM4MAPK1
SCHEMBL7016082 0.77 NPSR1 (0.46) CHRM4SLC6A4TMEM97SIGMAR1
SCHEMBL29171614 0.76 S1PR5 (0.44) AGTR2MAPK1HTR2CS1PR1S1PR5
SCHEMBL7015153 0.76 MAPT (0.42) AOC3CHRM4AGTR2MAPK1F10
SCHEMBL7016352 0.75 SIGMAR1 (0.45) HTR1AADRA2AADRA2BADRA2CDRD1
SCHEMBL7009852 0.74 AGTR2 (0.42) AOC3CHRM1CHRM4AGTR2MAPK1
SCHEMBL16691342 0.73 ALDH1A1 (0.48) MAPK1
SCHEMBL7010020 0.73 SIGMAR1 (0.46) CHRM1HTR1AHRH2HTR1BHTR2A
SCHEMBL7020197 0.72 SIGMAR1 (0.42) HTR1AADRA2AADRA2BADRA2CDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH AOC3 3593/4885ACACB 4870/4885CHRM1 1840/4885

“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.

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