SCHEMBL18844599

SCHEMBL18844599

CC(C)CC1CCCCN(CC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.42
ADRA2C P18825 1/20 0.42
PIK3CD O00329 4/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.32
OPRK1 P41145 2/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL21506203 0.86 KDM4E (0.37) CHRM5ADRA2CPIK3CDMEN1KMT2A
SCHEMBL24765448 0.82 PIK3CD (0.42) CHRM5ADRA2CPIK3CDKMT2AALDH1A1
SCHEMBL19228200 0.82 PIK3CD (0.37) CHRM5ADRA2CPIK3CDMEN1KMT2A
SCHEMBL23386418 0.81 CHRM5 (0.36) CHRM5ADRA2CPIK3CDMEN1KMT2A
SCHEMBL22020562 0.81 CYP3A4 (0.35) CHRM5ADRA2CKDM4EACHECYP1A2
SCHEMBL9925435 0.81 CYP3A4 (0.35) CHRM5ADRA2CKDM4EACHECYP1A2
SCHEMBL18427493 0.81 PIK3CD (0.41) CHRM5ADRA2CPIK3CDKMT2AKDM4E
SCHEMBL12436 0.81 PIK3CD (0.41) CHRM5ADRA2CPIK3CDKMT2AKDM4E
SCHEMBL20078738 0.81 CHRM5 (0.37) CHRM5ADRA2CPIK3CDMEN1KMT2A
SCHEMBL21864494 0.80 KDM4E (0.56) CHRM5ADRA2CPIK3CDMEN1KMT2A

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-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 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-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK CHRM5 4779/4885ADRA2C 4478/4885PIK3CD 105/4885

“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.