SCHEMBL3109508

SCHEMBL3109508

COC1(C2CCCCC2)CCN(c2ccc(-c3nnc([C@H]4CC[C@H](C(C)=O)CC4)s3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
MAPT P10636 1/20 0.34
USP2 O75604 2/20 0.33
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 4/20 0.32
OPRM1 P35372 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
APP P05067 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3109514 1.00 HRH3 (0.36) HRH3MAPTUSP2RAB9AALDH1A1
SCHEMBL13098918 0.94 MAPT (0.35) HRH3MAPTUSP2RAB9AALDH1A1
SCHEMBL13098869 0.93 MAPT (0.37) HRH3MAPTUSP2RAB9AALDH1A1
SCHEMBL3103272 0.90 ALDH1A1 (0.34) HRH3MAPTUSP2RAB9AALDH1A1
SCHEMBL3103265 0.90 ALDH1A1 (0.34) HRH3MAPTUSP2RAB9AALDH1A1
SCHEMBL3110248 0.88 HRH3 (0.34) HRH3MAPTUSP2APP
SCHEMBL17951693 0.86 HRH3 (0.34) HRH3MAPTUSP2APPMEN1
SCHEMBL16557178 0.84 HRH3 (0.34) HRH3MAPTAPP
SCHEMBL6132510 0.82 PDE4D (0.44) HRH3USP2PDE4DPDE7A
SCHEMBL6132560 0.81 PDE4D (0.48) HRH3MAPTUSP2RAB9AALDH1A1

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 4 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
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS HRH3 2183/4885MAPT 3126/4885USP2 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.