SCHEMBL21593381

SCHEMBL21593381

COc1cc(Br)cnc1C(=O)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ OPRK1 P41145 1/20 0.43
▸ PDE4B Q07343 3/20 0.42
▸ SIK2 Q9H0K1 1/20 0.42
▸ SIK3 Q9Y2K2 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ ULK1 O75385 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 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
SCHEMBL30130945 0.83 SIK1 (0.45) CNR2SMYD3PDE4BSIK2SIK3
SCHEMBL21593339 0.83 SIK1 (0.45) CNR2SMYD3PDE4BSIK2SIK3
SCHEMBL22967287 0.81 ALDH1A1 (0.43) ALDH1A1PDE4BSIK2SIK3FYN
SCHEMBL24626551 0.78 SMYD3 (0.48) CNR2SMYD3ALDH1A1BACE1KDM4E
SCHEMBL29675197 0.78 SMYD3 (0.48) CNR2SMYD3ALDH1A1BACE1KDM4E
SCHEMBL26906355 0.78 ALDH1A1 (0.50) CNR2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL17161028 0.77 MAPT (0.42) ALDH1A1OPRK1BACE1KDM4ELMNA
SCHEMBL21605545 0.76 MAPT (0.40) ALDH1A1FYNBACE1LMNAMAPT
SCHEMBL29465150 0.76 MAPT (0.40) ALDH1A1FYNBACE1LMNAMAPT
SCHEMBL3371450 0.76 LCK (0.44) ALDH1A1FYNBACE1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2025-04-01 — — US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 — — US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 — — US disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 — — 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-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1A, TNF, IL6 CNR2 1725/4885SMYD3 4325/4885ALDH1A1 1156/4885
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases TNF, IL1A, COL1A1 CNR2 1858/4885SMYD3 4411/4885ALDH1A1 1150/4885

“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.

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