SCHEMBL26915035

SCHEMBL26915035

O=C(O)N1CCN(c2cnc(C(F)(F)F)cn2)[C@H](CO)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
SLC6A9 P48067 11/20 0.36
CHRM1 P11229 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
CXCR3 P49682 1/20 0.35

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
SCHEMBL29274283 1.00 CHRM2 (0.40) CHRM2NR1H2NR1H3SLC6A9CHRM1
SCHEMBL24675569 0.85 HDAC8 (0.43) NR1H2NR1H3
SCHEMBL26959278 0.85 HDAC8 (0.43) NR1H2NR1H3
SCHEMBL24763592 0.85 HDAC8 (0.43) NR1H2NR1H3
SCHEMBL28966528 0.83 SMO (0.43) CHRM2NR1H2NR1H3CHRM1CHRM5
SCHEMBL20141053 0.80 SLC6A7 (0.40)
SCHEMBL29088965 0.80 LCAT (0.35) CXCR3
SCHEMBL26915045 0.80 MDM2 (0.36) CHRM2CXCR3
SCHEMBL26914983 0.80 LCAT (0.35) CXCR3
SCHEMBL26914936 0.80 MDM2 (0.36) CHRM2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP 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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 CHRM2 4654/4885NR1H2 984/4885NR1H3 955/4885

“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.