SCHEMBL21043389

SCHEMBL21043389

CC(C)C(N)Cc1ccc(C2OCCO2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
PNMT P11086 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
TRPA1 O75762 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
SCHEMBL26620284 0.81 EPHX1 (0.34) DPP4
SCHEMBL15783800 0.77 LOXL2 (0.41) PNMTTAAR1HTR2AHTR2CHTR2B
SCHEMBL20577136 0.77 MEN1 (0.31) TAAR1
SCHEMBL509943 0.74 CYP4F2 (0.38) DPP4HTR2AHTR2CHTR2B
SCHEMBL21043202 0.74 F10 (0.33)
SCHEMBL21901991 0.72 KDM4E (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL5040961 0.68 HTR2C (0.47) SLC6A4HTR2AHTR2CHTR2B
SCHEMBL24089524 0.67 CA1 (0.31) DPP4
SCHEMBL13416785 0.66 TRPA1 (0.62) DPP4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL20876621 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694856-B1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-10-25 EP disclosed
EP-3694856-B1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-10-25 EP disclosed
CN-110066278-B Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2021-06-08 CN disclosed
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-20200113879-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-04-16 US disclosed
WO-2019100735-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-05-31 WO 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 (2 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-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SLC10A1, CYP11B2, CYP11B1 DPP4 589/4885PNMT 279/4885TAAR1 1243/4885
US-20200113879-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SLC10A1, CYP11B2, CYP11B1 DPP4 589/4885PNMT 279/4885TAAR1 1243/4885

“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.