SCHEMBL19812644

SCHEMBL19812644

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 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC1A1 P43005 2/20 0.41
▸ DPP4 P27487 2/20 0.35
▸ MME P08473 3/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ OPRM1 P35372 7/20 0.32
▸ OPRK1 P41145 5/20 0.32
▸ OPRD1 P41143 4/20 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

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
SCHEMBL19812642 0.75 EPHX1 (0.44) TAAR1SLC6A2SLC6A3MEN1ALDH1A1
SCHEMBL13962958 0.75 SLC1A3 (0.45) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL1696684 0.75 SLC1A3 (0.45) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL19812643 0.73 TAAR1 (0.47) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL27318990 0.69 CYP1A2 (0.43) SLC1A3SLC1A2SLC1A1MMEOPRM1
SCHEMBL15203049 0.68 OPRM1 (0.40) TAAR1SLC1A3SLC1A2SLC1A1MME
SCHEMBL19812679 0.68 TAAR1 (0.50) TAAR1SLC1A1MDM2
SCHEMBL4668650 0.67 DPP4 (0.46) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL5321903 0.66 — —
SCHEMBL9542385 0.66 HTR2A (0.46) TAAR1SLC6A2SLC6A3MEN1KMT2A

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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