SCHEMBL5754567

SCHEMBL5754567

COc1cccc(-c2ccn(C)n2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.45
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
KMT2A Q03164 3/20 0.42
MPO P05164 1/20 0.41
CYP3A4 P08684 1/20 0.41
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SCN4A P35499 1/20 0.37
TSHR P16473 1/20 0.37
JAK2 O60674 1/20 0.36
KCNN4 O15554 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12844824 0.84 KMT2A (0.50) GRM5GRM1KMT2ACYP3A4KDM4E
SCHEMBL29685392 0.84 KMT2A (0.50) GRM5GRM1KMT2ACYP3A4KDM4E
SCHEMBL18378772 0.79 KMT2A (0.47) KMT2AMPOCYP3A4ALDH1A1POLB
SCHEMBL16963976 0.77 TLR8 (0.46) APLNRGRM5GRM1KMT2AKDM4E
SCHEMBL6312157 0.76 KMT2A (0.44) KMT2AMPOCYP3A4KDM4ETSHR
SCHEMBL7921177 0.75 CA1 (0.52) KMT2ACYP3A4KDM4EALDH1A1TSHR
SCHEMBL19589424 0.73 MPO (0.46) APLNRGRM5KMT2AMPOCYP3A4
SCHEMBL25731715 0.73 ACHE (0.46) APLNRGRM5KMT2ACYP3A4KDM4E
SCHEMBL16911976 0.73 KMT2A (0.38) APLNRGRM5GRM1KMT2AMPO
SCHEMBL17194964 0.73 KMT2A (0.42) GRM5KMT2AMPOCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663234-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS Pfizer Limited (GB) 2006-06-07 EP disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 US disclosed
WO-2005016344-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS PFIZER LIMITED (GB) 2005-02-24 WO 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-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 APLNR 3351/4885GRM5 803/4885GRM1 2719/4885

“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.