SCHEMBL17896353

SCHEMBL17896353

CC(C)c1cccc(C2CCN(C)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
KCNH2 Q12809 3/20 0.40
CHRNA7 P36544 1/20 0.40
USP7 Q93009 1/20 0.37
PARP1 P09874 1/20 0.36
KDM5A P29375 1/20 0.36
HTR4 Q13639 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
QDPR P09417 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL2609309 0.86 CHRNA7 (0.46) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL23106870 0.83 CHRNA7 (0.42) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL23103365 0.82 DRD2 (0.43) DRD2KCNH2PARP1PRMT5
SCHEMBL23103376 0.82 DRD2 (0.43) DRD2KCNH2PARP1PRMT5
SCHEMBL23103374 0.82 DRD2 (0.43) DRD2KCNH2PARP1PRMT5
SCHEMBL23109861 0.81 HTR1A (0.35) HTR1ADRD2DRD4KCNH2KDM5A
SCHEMBL26141032 0.81 HTR4 (0.45) HTR1ADRD2DRD4KCNH2HTR4
SCHEMBL25121130 0.80 USP7 (0.41) HTR1ADRD2DRD4KCNH2USP7
SCHEMBL23006094 0.79 HTR1A (0.44) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL23103361 0.79 TLR9 (0.42) CHRNA7TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145003-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 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 (2 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL HTR1A 1654/4885DRD2 1993/4885DRD4 1570/4885
US-20230145003-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB HTR1A 3631/4885DRD2 4549/4885DRD4 4588/4885

“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.