SCHEMBL6804431

SCHEMBL6804431

NC(=O)c1cc(C[CH]CN2CCCCC2)cc2oc(=O)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PARP1 P09874 6/20 0.32
KDM4E B2RXH2 1/20 0.32
CHEK1 O14757 2/20 0.30
TRPV1 Q8NER1 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
ALPL P05186 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP3 Q9Y6F1 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
SCHEMBL4593108 0.83 ALDH1A1 (0.34) HTR1ASLC6A2SLC6A3JAK2JAK1
SCHEMBL4858969 0.76 CALCRL (0.40) PARP1PARP2
SCHEMBL6802072 0.70 HTR1A (0.39) HTR1ASLC6A2SLC6A3PARP1
SCHEMBL4247434 0.64 GRM5 (0.38) KDM4E
SCHEMBL6804434 0.62 KDM4E (0.33) KDM4EALPL
SCHEMBL4593110 0.61 CALCRL (0.38)
SCHEMBL4593261 0.61 CALCRL (0.48)
SCHEMBL31507243 0.60 PARP1 (0.46) PARP1CHEK1PARP2PARP3
SCHEMBL11127227 0.58 SIGMAR1 (0.53) SLC6A3
SCHEMBL4862841 0.57 BTK (0.40) PARP1CHEK1

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-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed

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-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR HTR1A 171/4885SLC6A2 2782/4885SLC6A3 4300/4885

“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.