SCHEMBL26199223

SCHEMBL26199223

C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESRRB O95718 1/20 0.43
ESR1 P03372 1/20 0.43
ESRRA P11474 1/20 0.43
ESRRG P62508 1/20 0.43
LMNA P02545 2/20 0.42
FPR2 P25090 2/20 0.42
FPR3 P25089 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL28327837 1.00 ALDH1A1 (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL15101001 0.88 CNR1 (0.49) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL3837654 0.86 HTT (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL21399850 0.86 ALDH1A1 (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL3837657 0.86 HTT (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL660699 0.86 HTT (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL8115616 0.86 CYP2D6 (0.57) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL3805489 0.86 CYP2D6 (0.57) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL28329046 0.85 MBTD1 (0.48) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL28679081 0.84 ALDH1A1 (0.49) ALDH1A1HTTMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
EP-4177247-A1 HETEROCYCLIC IMMUNOMODULATOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2023-05-10 EP disclosed
CN-115776983-A Heterocyclic immunomodulators 北京诺诚健华医药科技有限公司 2023-03-10 CN 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-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR IL2, ICOS, IL5 ALDH1A1 233/4885HTT 846/4885MAPT 4376/4885

“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.