SCHEMBL19812643

SCHEMBL19812643

NCCC([C]=O)Cc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.47
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ DPP4 P27487 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MME P08473 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ MDM2 Q00987 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL1696682 0.75 TAAR1 (0.44) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL19812641 0.75 EPHX1 (0.43) TAAR1SLC6A2SLC6A3ALDH1A1PTGS1
SCHEMBL1696681 0.75 TAAR1 (0.44) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL7794645 0.74 LOXL2 (0.40) DPP4DPP8DPP9ALDH1A1MAPT
SCHEMBL19812644 0.73 TAAR1 (0.47) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL1443148 0.68 — —
SCHEMBL4668650 0.67 DPP4 (0.46) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL5321900 0.66 — —
SCHEMBL9542370 0.66 HTR2A (0.46) TAAR1SLC6A2SLC6A3PTGS1
SCHEMBL265338 0.65 — —

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-20230340026-A1 COMPOUNDS NEW PHARMA LICENCE HOLDINGS LTD (MT) 2023-10-26 — — US disclosed
US-20180030092-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2018-02-01 — — 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 (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-20230340026-A1 COMPOUNDS BCAT1, BCAT2, CCNT1 TAAR1 823/4885SLC1A3 565/4885SLC1A2 330/4885
US-20180030092-A1 COMPOUNDS BCAT1, BCAT2, IL4I1 TAAR1 886/4885SLC1A3 778/4885SLC1A2 509/4885

“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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