SCHEMBL13645890

SCHEMBL13645890

CC(=O)NC(C)CCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
ACACB O00763 9/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACACA Q13085 1/20 0.39

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
SCHEMBL9888804 0.86 ALDH1A1 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1MTNR1A
SCHEMBL2736111 0.83 MTNR1A (0.43) ALDH1A1MTNR1AMTNR1BACACBACACA
SCHEMBL13242519 0.81 GABRP (0.43) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL18531990 0.81 MTNR1A (0.42) ALDH1A1MTNR1AMTNR1BACACBACACA
SCHEMBL7890560 0.80
SCHEMBL13932519 0.80
SCHEMBL8435514 0.80
SCHEMBL18520329 0.80
SCHEMBL13452338 0.80
SCHEMBL8142982 0.80

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-11857605-B2 Thiosuccinyl-crosslinked hemoglobin conjugates and methods of use and preparation thereof BILLION KING INTERNATIONAL LIMITED (CN) 2024-01-02 US disclosed
US-11692022-B2 Thiosuccinyl-crosslinked hemoglobin analogs and methods of use and preparation thereof BILLION KING INTERNATIONAL LIMITED (CN) 2023-07-04 US disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 US disclosed
WO-2021042890-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF AS TRK KINASE INHIBITOR 罗欣药业(上海)有限公司 2021-03-11 WO disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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 (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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 TAS1R3 785/4885TAS1R1 221/4885TAS1R2 698/4885
US-11692022-B2 Thiosuccinyl-crosslinked hemoglobin analogs and methods of use and preparation thereof HBG1, HBG2, HBB TAS1R3 1574/4885TAS1R1 2128/4885TAS1R2 1996/4885
US-11857605-B2 Thiosuccinyl-crosslinked hemoglobin conjugates and methods of use and preparation thereof HBG1, HBG2, HBB TAS1R3 2395/4885TAS1R1 2917/4885TAS1R2 2663/4885
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 TAS1R3 1800/4885TAS1R1 1498/4885TAS1R2 1522/4885

“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.