SCHEMBL22628699

SCHEMBL22628699

N[C@@H]1CCc2cc(F)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.36
KDM1A O60341 6/20 0.34
KDM1B Q8NB78 3/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KCNH2 Q12809 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ANPEP P15144 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
SCHEMBL29548978 1.00 ACHE (0.36) ACHEKDM1AKDM1BCYP11B1CYP11B2
SCHEMBL8253437 1.00 ACHE (0.36) ACHEKDM1AKDM1BCYP11B1CYP11B2
SCHEMBL8613089 1.00 ACHE (0.36) ACHEKDM1AKDM1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL29020128 0.98 ACHE (0.39) ACHEKDM1AKDM1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL29961672 0.98 ACHE (0.39) ACHEKDM1AKDM1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8612954 0.98 ACHE (0.39) ACHEKDM1AKDM1BCYP11B1CYP11B2
SCHEMBL15109677 0.88 ACHE (0.40) ACHEKDM1AKDM1BCYP11B1CYP11B2
SCHEMBL8183412 0.84 ACHE (0.36) ACHEKDM1AKDM1BCYP11B1CYP11B2
SCHEMBL31730446 0.84 KDM1A (0.49) ACHEKDM1AKDM1BKCNH2
SCHEMBL803167 0.80 ACHE (0.40) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964518-B1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2026-01-28 EP disclosed
US-12157755-B2 CD73 inhibitor, preparation method therefor and application thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-12-03 US disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 EP disclosed
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-05-26 US disclosed
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-05-26 US disclosed
EP-3964518-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2022-03-09 EP disclosed
WO-2020221209-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2020-11-05 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-12157755-B2 CD73 inhibitor, preparation method therefor and application thereof ENTPD5, ENTPD1, NT5E ACHE 97/4885KDM1A 729/4885KDM1B 796/4885
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ENTPD5, ENTPD1, NT5E ACHE 97/4885KDM1A 729/4885KDM1B 796/4885

“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.