SCHEMBL13099208

SCHEMBL13099208

COC(=O)[C@H]1CC[C@H](c2nnc(-c3ccc(N4CCNCC4)cc3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
MAPKAPK2 P49137 5/20 0.39
ACVR1 Q04771 5/20 0.39
TGFBR1 P36897 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
USP2 O75604 1/20 0.38
ABL1 P00519 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP28 Q96RU2 2/20 0.37
USP25 Q9UHP3 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL9408126 0.99 MAPT (0.41) MAPTMAPKAPK2ACVR1TGFBR1PDE3B
Hydrochloric Acid SCHEMBL9408037 0.88 LGMN (0.45) MAPTACVR1KMT2ASMN1; SMN2USP28
SCHEMBL9407948 0.87 TSHR (0.40) MAPTMAPKAPK2ACVR1TGFBR1USP2
SCHEMBL9407953 0.87 TSHR (0.40) MAPTMAPKAPK2ACVR1TGFBR1USP2
SCHEMBL3101680 0.87 MAPT (0.43) MAPTPDE3BPDE3AUSP2MEN1
Hydrochloric Acid SCHEMBL9407957 0.86 TSHR (0.39) MAPTMAPKAPK2ACVR1TGFBR1USP2
SCHEMBL13098780 0.84 MAPT (0.41) MAPTPDE3BPDE3AUSP2MEN1
SCHEMBL9407972 0.84 DGAT1 (0.41) ACVR1TGFBR1USP25
SCHEMBL9407975 0.84 DGAT1 (0.41) ACVR1TGFBR1USP25
SCHEMBL13099157 0.84 HRH3 (0.42) MAPTPDE3BPDE3AUSP2MEN1

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 MAPT 3126/4885MAPKAPK2 2698/4885ACVR1 3473/4885

“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.