SCHEMBL13406367

SCHEMBL13406367

COC(=O)C1CCCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
TSHR P16473 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL27714175 0.98 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28418973 0.94 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13406360 0.94 SMN1; SMN2 (0.47) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13406359 0.94 SMN1; SMN2 (0.47) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6978531 0.94 SMN1; SMN2 (0.47) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL14697147 0.92 SMN1; SMN2 (0.46) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13406368 0.90 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27030505 0.90 GABRP (0.52) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5163 0.90 GABRP (0.52) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL774514 0.88 CHRNB2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 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 (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-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 SMN1; SMN2 4609/4885CHRNB2 1058/4885CHRNA4 1526/4885
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP SMN1; SMN2 1391/4885CHRNB2 4274/4885CHRNA4 4581/4885

“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.