SCHEMBL23854680

SCHEMBL23854680

O=C(OCc1ccccc1)N1CCc2nc(Cl)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.60
TMEM97 Q5BJF2 15/20 0.53
SIGMAR1 Q99720 15/20 0.53
KDR P35968 1/20 0.48
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
HRH2 P25021 3/20 0.48
HTR2C P28335 3/20 0.48
HRH1 P35367 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
DRD3 P35462 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR5A P47898 1/20 0.48

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
SCHEMBL21800290 0.89 ABHD6 (0.55) DHFRTMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL13984116 0.88 DHFR (0.66) DHFRTMEM97SIGMAR1KDRADRA2A
SCHEMBL31173430 0.84 DHFR (0.58) DHFRTMEM97SIGMAR1KDRADRA2A
SCHEMBL11091799 0.84 DHFR (0.60) DHFRTMEM97SIGMAR1KDRADRA2A
SCHEMBL31091972 0.84 DHFR (0.60) DHFRTMEM97SIGMAR1KDRADRA2A
SCHEMBL28506393 0.81 DHFR (0.57) DHFRTMEM97SIGMAR1KDRADRA2A
SCHEMBL30422312 0.81 DHFR (0.54) DHFRTMEM97SIGMAR1
SCHEMBL26752181 0.80 PTGDR2 (0.55) DHFRKDRMEN1KMT2A
SCHEMBL29934061 0.80 DHFR (0.67) DHFRTMEM97SIGMAR1KDRADRA2A
SCHEMBL21956030 0.79 ABHD6 (0.44) DHFRTMEM97SIGMAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001876-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-01 US disclosed
EP-4572761-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
CN-119730854-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2025-03-28 CN disclosed
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2024-04-09 US disclosed
WO-2024038129-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN 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 (4 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-20260001876-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE7A DHFR 1220/4885TMEM97 3721/4885SIGMAR1 1342/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 DHFR 1078/4885TMEM97 4357/4885SIGMAR1 4247/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 DHFR 1619/4885TMEM97 4195/4885SIGMAR1 4238/4885
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease SSB, HLA-DRB1, IL5 DHFR 480/4885TMEM97 2377/4885SIGMAR1 2721/4885

“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.