SCHEMBL17040326

SCHEMBL17040326

CC(C)C(=O)N1CCN(Cc2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.52
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 3/20 0.47
RIPK1 Q13546 1/20 0.47
CHRM1 P11229 2/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PHGDH O43175 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ACE P12821 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL17037456 0.90 P2RX7 (0.50) P2RX7NR1H2NR1H3RIPK1CHRM1
SCHEMBL26814710 0.84 CHRM1 (0.60) CHRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25146867 0.83 CHRM1 (0.47) CHRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25147222 0.83 CHRM1 (0.47) CHRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3198447 0.75 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6068834 0.75 NR1H2 (0.52) NR1H2NR1H3SIGMAR1
SCHEMBL25326228 0.74 RIPK1 (0.44) P2RX7RIPK1
SCHEMBL25326230 0.74 RIPK1 (0.44) P2RX7RIPK1
Hydrochloric Acid SCHEMBL27491551 0.74 NR1H2 (0.51) NR1H2NR1H3SIGMAR1
SCHEMBL16226782 0.73 SIGMAR1 (0.55) NR1H2NR1H3ALDH1A1SIGMAR1

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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 (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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 P2RX7 2580/4885NR1H2 1061/4885NR1H3 1117/4885

“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.