SCHEMBL102677

SCHEMBL102677

CCC(=O)Oc1cc2ccoc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.36
HTR3A P46098 3/20 0.36
CTNNB1 P35222 4/20 0.36
WNT3A P56704 4/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
KMO O15229 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL27867975 0.75 CHRNA7 (0.46) CHRNA7HTR3ACTNNB1WNT3ANFKB1
SCHEMBL28715479 0.72 SMN1; SMN2 (0.42) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL102676 0.71 KDM4E (0.39) CHRNA7HTR3ACTNNB1WNT3ANPC1
SCHEMBL3878006 0.71 GABRA1 (0.55) CHRNA7HTR3ANPC1MAPTSMN1; SMN2
SCHEMBL7504438 0.70 CHRNA7 (0.45) CHRNA7HTR3ACTNNB1WNT3AKMT2A
SCHEMBL7507673 0.70 MIF (0.46) CHRNA7HTR3ACTNNB1WNT3AMAPT
SCHEMBL22557503 0.69 ESR1 (0.39) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL55605 0.69 CHRNA7 (0.48) CHRNA7HTR3ACTNNB1WNT3AHTR3E
SCHEMBL843011 0.69 ALDH1A1 (0.42) CHRNA7HTR3ACTNNB1WNT3AHTR3E
SCHEMBL5918048 0.68 TSHR (0.50) CHRNA7HTR3AMAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CHRNA7 732/4885HTR3A 3100/4885CTNNB1 554/4885

“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.