SCHEMBL4276590

SCHEMBL4276590

COC(C(=O)N1CCC(c2ccccc2)(N2CCN(c3ccncc3)CC2)CC1)C1CCc2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2C9 P11712 5/20 0.36
TSHR P16473 3/20 0.36
CYP2D6 P10635 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 2/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
NPY1R P25929 3/20 0.33
CYP1A2 P05177 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2C P28335 1/20 0.33
OPRM1 P35372 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL4274132 0.88 MC4R (0.37) DRD3HTR1AHTR2ATSHRNPY1R
SCHEMBL4287232 0.83 SLC6A3 (0.39) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL4279426 0.79 OPRL1 (0.39) DRD3HTR1AHTR2AOPRM1OPRK1
SCHEMBL707969 0.73 CCR5 (0.35) CYP2D6ALDH1A1NPY1RKCNH2
SCHEMBL3446634 0.72 MEN1 (0.34) CYP2D6SMN1; SMN2ALDH1A1NPY1RKCNH2
SCHEMBL4554297 0.72 CHRM1 (0.35) DRD3HTR1AHTR2ACYP2D6ALDH1A1
SCHEMBL4444921 0.72 CCR5 (0.34) TSHRCYP2D6ALDH1A1CYP3A4NPY1R
SCHEMBL707959 0.72 CCR5 (0.37) DRD3HTR1AHTR2AALDH1A1HTR2C
SCHEMBL4444561 0.71 CCR5 (0.34) TSHRCYP2D6ALDH1A1MAPK1CYP3A4
SCHEMBL4280544 0.71 SLC6A3 (0.43) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 DRD3 3341/4885HTR1A 2108/4885HTR2A 2048/4885

“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.