SCHEMBL23648657

SCHEMBL23648657

O=C(c1ccccc1)N1CCc2c(nn(-c3ccccn3)c2O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
SLC6A7 Q99884 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 1/20 0.45
F12 P00748 1/20 0.43
P2RX7 Q99572 7/20 0.43
KDM4E B2RXH2 1/20 0.43
TACR3 P29371 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CFTR P13569 1/20 0.42
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29871289 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1SLC6A7L3MBTL1GRM5
SCHEMBL23656497 0.91 P2RX7 (0.48) ALDH1A1MAPK1SLC6A7L3MBTL1GRM5
SCHEMBL28818366 0.90 P2RX7 (0.41) ALDH1A1MAPK1SLC6A7L3MBTL1P2RX7
SCHEMBL23648784 0.86 ALDH1A1 (0.45) ALDH1A1F12P2RX7HPGDTSHR
SCHEMBL23656488 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1F12P2RX7KDM4E
SCHEMBL29870825 0.81 HSD17B10 (0.41) ALDH1A1MAPK1F12P2RX7KDM4E
SCHEMBL29870905 0.81 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1GRM5F12
SCHEMBL23648608 0.81 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1GRM5F12
SCHEMBL23648614 0.81 HSD17B10 (0.41) ALDH1A1MAPK1F12P2RX7KDM4E
SCHEMBL23648604 0.81 F2 (0.48) ALDH1A1GRM5F12MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509438-B2 Pyrazole derivative APTABIO THERAPEUTICS INC. (KR) 2025-12-30 US claimed
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE APTABIO THERAPEUTICS INC. (KR) 2023-03-02 US claimed
EP-4105206-A1 NOVEL PYRAZOLE DERIVATIVE Aptabio Therapeutics Inc. (KR) 2022-12-21 EP claimed
WO-2021145655-A1 NOVEL PYRAZOLE DERIVATIVE 압타바이오 주식회사 2021-07-22 WO claimed
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE APTABIO THERAPEUTICS INC. (KR) 2023-03-02 US disclosed
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE APTABIO THERAPEUTICS INC. (KR) 2023-03-02 US disclosed
EP-4105206-A1 NOVEL PYRAZOLE DERIVATIVE Aptabio Therapeutics Inc. (KR) 2022-12-21 EP disclosed
WO-2021145655-A1 NOVEL PYRAZOLE DERIVATIVE 압타바이오 주식회사 2021-07-22 WO disclosed
WO-2021145655-A1 NOVEL PYRAZOLE DERIVATIVE 압타바이오 주식회사 2021-07-22 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 (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-12509438-B2 Pyrazole derivative CBR3, NR3C2, NR3C1 ALDH1A1 769/4885MAPK1 1631/4885SLC6A7 1485/4885
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE CYP3A5, CYP3A7, CYP3A4 ALDH1A1 507/4885MAPK1 966/4885SLC6A7 930/4885

“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.