SCHEMBL22933150

SCHEMBL22933150

CN(C)CCOCCO[C@H]1CC[C@H](N)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CD38 P28907 1/20 0.33
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29696529 1.00 CA12 (0.36) CA12CA1CA2CA9ADRB2
SCHEMBL5004352 0.89 RET (0.33)
SCHEMBL5004351 0.89 RET (0.33)
Hydrochloric Acid SCHEMBL4280283 0.87 RET (0.33)
Hydrochloric Acid SCHEMBL4280280 0.87 RET (0.33)
SCHEMBL20337456 0.79 OPRM1 (0.33) CA2EPHX2
SCHEMBL20337353 0.79 EPHX2 (0.35) EPHX2
SCHEMBL8908943 0.79 EPHX2 (0.39) EPHX2ALDH1A1
SCHEMBL8908940 0.79 EPHX2 (0.39) EPHX2ALDH1A1
SCHEMBL31495554 0.78

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-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 US disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 US disclosed
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 RIBON THERAPEUTICS, INC. (US) 2022-12-27 US disclosed
WO-2021021986-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-04 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 (3 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-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CA12 416/4885CA1 1118/4885CA2 623/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 CA12 416/4885CA1 1118/4885CA2 623/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 CA12 416/4885CA1 1118/4885CA2 623/4885

“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.