SCHEMBL17660260

SCHEMBL17660260

CC(C)NC(=O)N1CC(OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2C9 P11712 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RORC P51449 1/20 0.31

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
SCHEMBL12448070 0.80 CYP1A2 (0.47) SMN1; SMN2PKMCYP2C9CYP1A2ALDH1A1
SCHEMBL17664667 0.80 POLB (0.45) SMN1; SMN2PDE4BTACR1BTK
SCHEMBL19886208 0.79 BTK (0.36) SMN1; SMN2ALDH1A1CYP2D6CYP2C19BTK
SCHEMBL10121190 0.77 CHRNB2 (0.48) PDE4BTACR1
SCHEMBL15298475 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PKMCYP2C9CYP1A2ALDH1A1
SCHEMBL20878523 0.76 EPHX2 (0.33) —
SCHEMBL24567571 0.76 SMN1; SMN2 (0.42) SMN1; SMN2PKMCYP2C9CYP1A2ALDH1A1
SCHEMBL17663698 0.76 KMT2A (0.50) ALDH1A1TACR1DPP4BTKKMT2A
SCHEMBL25547049 0.75 CHRNB2 (0.35) —
SCHEMBL19892033 0.75 BTK (0.37) BTKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN SMN1; SMN2 4740/4885PKM 2865/4885CYP2C9 1762/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN SMN1; SMN2 4742/4885PKM 3163/4885CYP2C9 1645/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN SMN1; SMN2 4740/4885PKM 2865/4885CYP2C9 1762/4885

“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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