SCHEMBL19454166

SCHEMBL19454166

CC(C)N1CCc2nc(I)oc2C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRNA7 P36544 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL798556 0.83 GAA (0.32) CYP3A4TSHRHSD17B10CHRNA7LMNA
SCHEMBL9963385 0.81 ADORA2A (0.38) CYP3A4TSHRHSD17B10CHRNA7LMNA
SCHEMBL19454159 0.77 CYP2C19 (0.39) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL12938135 0.70 CHRNA7 (0.39) CHRNA7PIK3R1PIK3CA
SCHEMBL13937972 0.68 PIK3R1 (0.33) CHRNA7PIK3R1PIK3CA
SCHEMBL19454161 0.67 ALDH1A1 (0.33) CHRNA7
SCHEMBL19454154 0.67 KDM4E (0.39)
SCHEMBL19171366 0.66 ALDH1A1 (0.36) CHRNA7PIK3R1PIK3CA
SCHEMBL13256465 0.65 DPP4 (0.33)
SCHEMBL1106419 0.64 CYP2C19 (0.37) CYP3A4TSHRHSD17B10LMNABLM

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-20170291902-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 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-20170291902-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 CYP3A4 1995/4885TSHR 2096/4885HSD17B10 2507/4885

“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.