SCHEMBL23360592

SCHEMBL23360592

Cc1cccc2c(N[C@@H]3CCN(C(=O)O)C3)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
JAK3 P52333 2/20 0.42
NOS2 P35228 3/20 0.38
PAK1 Q13153 2/20 0.38
BTK Q06187 3/20 0.38
HCK P08631 1/20 0.38
RPS6KB1 P23443 1/20 0.37
NSD2 O96028 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL23360595 1.00 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BJAK3
SCHEMBL23360399 0.91 KEAP1 (0.42) JAK3NOS2RPS6KB1MEN1ALDH1A1
SCHEMBL23360531 0.91 KEAP1 (0.42) JAK3NOS2RPS6KB1MEN1ALDH1A1
SCHEMBL23360402 0.91 KEAP1 (0.42) JAK3NOS2RPS6KB1MEN1ALDH1A1
SCHEMBL23360516 0.87 CDK2 (0.43) JAK3BTKMAPK1PIM1PIM2
SCHEMBL23360023 0.87 JAK3 (0.42) JAK3PAK1MEN1ALDH1A1KMT2A
SCHEMBL23360514 0.87 CDK2 (0.43) JAK3BTKMAPK1PIM1PIM2
SCHEMBL23360026 0.87 JAK3 (0.42) JAK3PAK1MEN1ALDH1A1KMT2A
SCHEMBL23360169 0.86 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BNOS2
SCHEMBL23360171 0.86 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BNOS2

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
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORPORATION (KR) 2021-05-20 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 (2 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-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL HTR1A 4160/4885ADRA1D 3563/4885ADRA1A 4172/4885
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS FAP, APC, VHL HTR1A 4160/4885ADRA1D 3563/4885ADRA1A 4172/4885

“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.