SCHEMBL27095942

SCHEMBL27095942

CN1CCC(COc2cc(CNc3ccc(N(C)C)nn3)ccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ENPP2 Q13822 2/20 0.36
CCNT1 O60563 7/20 0.35
CDK9 P50750 7/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ACACB O00763 2/20 0.34
KDM1A O60341 2/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL24493583 0.79 HRH3 (0.40) APAF1CASP3SENP8SENP7SENP6
SCHEMBL24493582 0.78 HRH3 (0.40) APAF1CASP3SENP8SENP7SENP6
SCHEMBL27095822 0.76 CCNT1 (0.42) ENPP2CCNT1CDK9ACHE
SCHEMBL429671 0.74 LOXL2 (0.51) HRH3
SCHEMBL30578250 0.74 LOXL2 (0.51) HRH3
SCHEMBL27095873 0.74 GSK3B (0.40) APAF1CASP3SENP8SENP7SENP6
SCHEMBL27095987 0.73 CCNT1 (0.42) APAF1CASP3SENP8SENP7SENP6
SCHEMBL27096082 0.73 APAF1 (0.40) APAF1CASP3SENP8SENP7SENP6
SCHEMBL24493350 0.72 APAF1 (0.41) APAF1CASP3SENP8SENP7SENP6
SCHEMBL24493315 0.72 MRGPRX1 (0.47) CCNT1CDK9

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-20240059691-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 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-20240059691-A1 ENZYME INHIBITORS SERPINB1, XDH, ACE APAF1 919/4885CASP3 2487/4885SENP8 2375/4885

“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.