SCHEMBL13099112

SCHEMBL13099112

COC(=O)[C@H]1CC[C@H](c2nnc(-c3ccc(N4CCN(CCC5CCCCC5)CC4)cc3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.44
DRD3 P35462 9/20 0.44
USP2 O75604 1/20 0.40
MAPT P10636 3/20 0.39
GALR3 O60755 1/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
JAK3 P52333 1/20 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
SCHEMBL13099111 0.91 USP2 (0.41) USP2MAPTGALR3HTR1AALDH1A1
SCHEMBL13099104 0.85 DRD2 (0.42) DRD2DRD3USP2MAPTALDH1A1
SCHEMBL13099083 0.84 MAPT (0.38) USP2MAPTALDH1A1JAK3
SCHEMBL13098780 0.83 MAPT (0.41) USP2MAPTALDH1A1JAK3
SCHEMBL13099187 0.83 DRD2 (0.39) DRD2DRD3MAPTTSHRJAK3
SCHEMBL13099208 0.81 MAPT (0.42) USP2MAPT
SCHEMBL13098869 0.80 MAPT (0.37) USP2MAPTALDH1A1
Hydrochloric Acid SCHEMBL9408126 0.80 MAPT (0.41) USP2MAPT
SCHEMBL3101680 0.80 MAPT (0.43) USP2MAPTGALR3ALDH1A1TSHR
SCHEMBL9407986 0.80 GPR119 (0.47) MAPTALDH1A1TSHR

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-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS DRD2 2677/4885DRD3 2427/4885USP2 3571/4885

“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.