SCHEMBL22491512

SCHEMBL22491512

COC(=O)c1cc2c(c(OCCF)c1)CCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 2/20 0.43
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38
▸ TUBB2B Q9BVA1 1/20 0.38

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
SCHEMBL22491534 0.86 DRD2 (0.39) HTTADRB2ADRB1HTR1AOPRK1
SCHEMBL22491481 0.84 CRBN (0.48) CRBNHTTALOX15HSD17B10ALDH1A1
SCHEMBL29734435 0.84 CRBN (0.48) CRBNHTTALOX15HSD17B10ALDH1A1
SCHEMBL22491528 0.78 CRBN (0.49) CRBNHTTALOX15HSD17B10ALDH1A1
SCHEMBL29734620 0.78 CRBN (0.49) CRBNHTTALOX15HSD17B10ALDH1A1
SCHEMBL22797565 0.77 CRBN (0.35) CRBNHTTALOX15HSD17B10ALDH1A1
SCHEMBL22491598 0.76 POLB (0.41) ALOX15HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL22491426 0.72 CA12 (0.47) CRBNHTTALDH1A1LMNATUBB4A
SCHEMBL28459022 0.71 LMNA (0.48) CRBNHTTALOX15HSD17B10ALDH1A1
SCHEMBL22773209 0.70 DRD2 (0.39) DRD2DRD4DRD3

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-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP disclosed
CN-111386269-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2020-07-07 — — 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 (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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY CRBN 206/4885HTT 647/4885ALOX15 1266/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY CRBN 206/4885HTT 647/4885ALOX15 1266/4885

“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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