SCHEMBL17454397

SCHEMBL17454397

CC(=O)c1cc(C2CC2)nn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
KCNT1 Q5JUK3 4/20 0.44
CACNA1H O95180 1/20 0.43
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
KDM4E B2RXH2 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 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
SCHEMBL2215374 0.86 KDM4E (0.50) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL4072006 0.84 PSMB8 (0.45) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL3065968 0.84 KCNT1 (0.46) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL19902353 0.81 PSMB8 (0.46) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL17452576 0.81 PSMB8 (0.49) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL15273648 0.81 PSMB8 (0.46) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL8031275 0.79 PSMB8 (0.53) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL11899894 0.79 PSMB8 (0.50) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL2363430 0.78 FAAH (0.49) PSMB8PSMB9PSMB5KCNT1CACNA1H
SCHEMBL23293556 0.77 KDM4E (0.42) PSMB8PSMB9PSMB5KCNT1CACNA1H

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
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
CN-114728975-A Azole-fused pyridazin-3 (2H) -one derivatives 武田药品工业株式会社 2022-07-08 CN disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 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 (5 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-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 PSMB8 55/4885PSMB9 150/4885PSMB5 89/4885
US-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT PSMB8 4172/4885PSMB9 4589/4885PSMB5 3863/4885
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA PSMB8 3505/4885PSMB9 3938/4885PSMB5 3181/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PSMB8 3830/4885PSMB9 3319/4885PSMB5 2598/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PSMB8 3505/4885PSMB9 3938/4885PSMB5 3181/4885

“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.