SCHEMBL31664598

SCHEMBL31664598

CN(C[C@@H]1OCCc2c(-c3ccc(F)cc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
IDH1 O75874 1/20 0.35
HTR2C P28335 2/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRM2 Q14416 1/20 0.33
OXTR P30559 3/20 0.33
AVPR1A P37288 3/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
PTGDR Q13258 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL20700434 0.89 MGLL (0.35) BRD4CREBBPKCNH2PTGDRCYP11B1
SCHEMBL20700136 0.89 MGLL (0.35) BRD4CREBBPKCNH2PTGDRCYP11B1
SCHEMBL29981309 0.89 MGLL (0.35) BRD4CREBBPKCNH2PTGDRCYP11B1
SCHEMBL20699928 0.89 MGLL (0.35) BRD4CREBBPKCNH2PTGDRCYP11B1
SCHEMBL31664592 0.88 JAK2 (0.35) BRD4CREBBPIDH1KCNA5OXTR
SCHEMBL30782830 0.88 JAK2 (0.35) BRD4CREBBPIDH1KCNA5OXTR
SCHEMBL30782902 0.88 GRM2 (0.35) IDH1HTR2CGRM2CYP11B1CYP11B2
SCHEMBL20718693 0.86 ADRA2A (0.38) KCNH2PTGDR
SCHEMBL20700711 0.85 GPR119 (0.34) BRD4CREBBPPTGDRUCHL1
SCHEMBL20699938 0.85 GPR119 (0.34) BRD4CREBBPPTGDRUCHL1

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-20250236602-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER CORETERRA THERAPEUTICS, INC. 2025-07-24 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-20250236602-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PMP22, INA, SLC18A2 HTR1A 839/4885HTR7 1112/4885BRD4 1824/4885

“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.