SCHEMBL14440720

SCHEMBL14440720

CN1CCN(CC#CC(C)(C)C)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.34
▸ CHRM5 P08912 4/20 0.34
▸ CHRM1 P11229 4/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ APEX1 P27695 2/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GAA P10253 1/20 0.30

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
SCHEMBL14205653 0.81 CHRM2 (0.37) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL19142661 0.79 CHRM2 (0.40) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL2611015 0.77 CHRM2 (0.36) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL21910073 0.75 CHRM2 (0.33) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL21000344 0.74 GAA (0.35) GAA
SCHEMBL17433363 0.72 GAA (0.37) GAA
SCHEMBL7904697 0.70 P2RX7 (0.39) CHRM2CHRM3GAA
SCHEMBL22230513 0.69 GAA (0.40) GAA
SCHEMBL12311449 0.69 GAA (0.40) LMNAGAA
SCHEMBL18391585 0.69 GAA (0.36) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CHRM2 3376/4885CHRM5 4214/4885CHRM1 3489/4885

“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.

Send feedback