SCHEMBL22014125

SCHEMBL22014125

CC(C)(C)OC(=O)N1CCC(c2ccc(-c3c(Cl)cnc4ccc(N5C[C@@H](F)C[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.43
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 2/20 0.36
CNR1 P21554 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL22013146 0.87 NTRK1 (0.45) NTRK1SMN1; SMN2MAPTCNR1NPSR1
SCHEMBL22013639 0.87 NTRK1 (0.42) NTRK1
SCHEMBL22013072 0.84 NTRK1 (0.37) NTRK1
SCHEMBL29692804 0.84 NTRK1 (0.37) NTRK1
SCHEMBL22013411 0.81 NTRK1 (0.43) NTRK1
SCHEMBL23825246 0.81 NTRK1 (0.45) NTRK1
SCHEMBL22013075 0.78 MELK (0.40) NTRK1
SCHEMBL22013092 0.78 MELK (0.40) NTRK1
SCHEMBL22014129 0.77 NTRK1 (0.43) NTRK1
SCHEMBL22013109 0.77 NTRK1 (0.43) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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 (1 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 NTRK1 40/4885SMN1; SMN2 2599/4885GPR119 372/4885

“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.