SCHEMBL13145758

SCHEMBL13145758

CC(C)(C)N1CCOc2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
NOTUM Q6P988 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADRB1 P08588 1/20 0.33
AVPR1A P37288 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27358451 0.78 NPC1 (0.45) HTR6PIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL29674819 0.74 CDK6 (0.41) HTR6PIK3CDPIK3CBPIK3CG
SCHEMBL13180251 0.74 PIK3CB (0.40) HTR6PIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL10132034 0.73 NOTUM (0.51) NOTUMARNPC1POLB
SCHEMBL18427625 0.69
SCHEMBL24177559 0.69 MEN1 (0.33) NOTUMKDM4EALDH1A1
SCHEMBL2015384 0.68 SOS1 (0.42) HTR6PIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL20328102 0.68 AVPR1A (0.41) HTR6PIK3CDPIK3CBPIK3CGADRB1
SCHEMBL13145769 0.68 AR (0.45) PIK3CDPIK3CBPIK3CGALDH1A1AR
SCHEMBL25094284 0.68 PIK3CD (0.40) PIK3CDPIK3CBPIK3CGNOTUMAR

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 HTR6 1974/4885PIK3CD 4588/4885PIK3CB 4350/4885

“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.