SCHEMBL19644454

SCHEMBL19644454

COC(=O)c1ccc2c(c(Br)nn2C2CCOCC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ NR3C1 P04150 4/20 0.35
▸ AXL P30530 2/20 0.35
▸ TYRO3 Q06418 2/20 0.35
▸ MERTK Q12866 2/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL19644534 0.76 CNR2 (0.46) OPRK1KDM4CSSTR4PDE1APDE1B
SCHEMBL29704418 0.76 PTGER4 (0.40) OPRK1KDM4CSSTR4IRAK4PTGER4
SCHEMBL29704358 0.76 CNR2 (0.46) OPRK1KDM4CSSTR4PDE1APDE1B
SCHEMBL19657727 0.76 PTGER4 (0.40) OPRK1KDM4CSSTR4IRAK4PTGER4
SCHEMBL29121557 0.72 ELANE (0.53) OPRK1KDM4CSSTR4PDE1APDE1B
SCHEMBL30676733 0.72 ELANE (0.53) OPRK1KDM4CSSTR4PDE1APDE1B
SCHEMBL22637662 0.67 IRAK4 (0.46) OPRK1IRAK4SPRALDH1A1
SCHEMBL25077956 0.66 ALDH1A1 (0.39) NR3C1IRAK4KCNJ6KCNJ5KCNJ3
SCHEMBL31153524 0.66 CFTR (0.39) KDM4CSSTR4KCNJ6KCNJ5KCNJ3
SCHEMBL24007641 0.66 SMN1; SMN2 (0.42) OPRK1IRAK4KCNJ6KCNJ5KCNJ3

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
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 — — EP disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 — — US disclosed
EP-3464270-A2 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2019-04-10 — — EP disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 OPRK1 2832/4885KDM4C 514/4885NR3C1 128/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 OPRK1 2832/4885KDM4C 514/4885NR3C1 128/4885

“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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