SCHEMBL16649746

SCHEMBL16649746

CC[C@@H](N)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.47
▸ SHBG P04278 1/20 0.41
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ DPP4 P27487 5/20 0.38
▸ BCDIN3D Q7Z5W3 3/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ MME P08473 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
SCHEMBL14373864 1.00 SLC6A4 (0.47) SLC6A4SHBGCES2CES1DPP4
SCHEMBL14373888 1.00 SLC6A4 (0.47) SLC6A4SHBGCES2CES1DPP4
Hydrochloric Acid SCHEMBL7780665 0.98 SLC6A4 (0.46) SLC6A4SHBGCES2CES1DPP4
SCHEMBL21784989 0.85 SLC6A4 (0.46) SLC6A4DPP4DPP8
SCHEMBL23560788 0.84 SLC6A4 (0.44) SLC6A4SHBGDPP4
SCHEMBL12261550 0.84 SLC6A4 (0.44) SLC6A4SHBGDPP4
Hydrochloric Acid SCHEMBL21248352 0.82 SLC6A4 (0.43) SLC6A4SHBGDPP4
SCHEMBL12261563 0.82 SLC6A4 (0.43) SLC6A4
Hydrochloric Acid SCHEMBL23527526 0.82 SLC6A4 (0.43) SLC6A4SHBGDPP4
SCHEMBL20811251 0.82 SLC6A4 (0.43) SLC6A4SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 — — US disclosed
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 — — US disclosed
WO-2018118705-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS, INC. (US) 2018-06-28 — — WO disclosed
WO-2016131789-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-25 — — WO disclosed
EP-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 — — 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-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 SLC6A4 4289/4885SHBG 660/4885CES2 3188/4885

“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.

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