SCHEMBL27150593

SCHEMBL27150593

O=C(O)N1CCC(c2cn[nH]c2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.57
ROCK2 O75116 2/20 0.47
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ADAM10 O14672 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL27150592 1.00 HSD11B1 (0.57) HSD11B1ROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL24581583 0.81 HSD11B1 (0.54) HSD11B1TP53MAPTHPGD
SCHEMBL24581805 0.81 HSD11B1 (0.54) HSD11B1TP53MAPTHPGD
SCHEMBL24581588 0.81 HSD11B1 (0.54) HSD11B1TP53MAPTHPGD
SCHEMBL21194810 0.78 HSD11B1 (0.42) HSD11B1ROCK2
SCHEMBL27074366 0.78 HSD11B1 (0.42) HSD11B1ROCK2
SCHEMBL22533300 0.76 HSD11B1 (0.53) HSD11B1ROCK2
Hydrochloric Acid SCHEMBL22532901 0.75 HSD11B1 (0.53) HSD11B1ROCK2
SCHEMBL16118170 0.74 KDM4E (0.54) HSD11B1MAPTHPGD
SCHEMBL9986181 0.74 HPGDS (0.50) HSD11B1ROCK2ALDH1A1MAPTHPGD

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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT HSD11B1 1178/4885ROCK2 1779/4885RAB9A 760/4885

“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.