SCHEMBL2997382

SCHEMBL2997382

CC1(C)CN(Cc2ccc(F)cc2)C/C(=C/c2ccccn2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.44
PRKAG1 P54619 5/20 0.44
PRKAA1 Q13131 5/20 0.44
NEK1 Q96PY6 5/20 0.44
PRKAB1 Q9Y478 5/20 0.44
MAPK1 P28482 4/20 0.44
RAF1 P04049 3/20 0.44
RPS6KB1 P23443 3/20 0.44
AKT1 P31749 3/20 0.44
AKT2 P31751 3/20 0.44
KDR P35968 3/20 0.44
MAPKAPK2 P49137 3/20 0.44
MAP2K1 Q02750 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
XBP1 P17861 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL2997384 1.00 IKBKB (0.44) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL3636699 0.91 MAPK1 (0.48) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL3636696 0.91 MAPK1 (0.48) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL3000164 0.80 IKBKB (0.44) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL3000161 0.80 IKBKB (0.44) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL3001641 0.78 PIK3CD (0.41) MAPK1AKT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3001639 0.78 PIK3CD (0.41) MAPK1AKT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2997704 0.75 KMT2A (0.38) MAPK1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2997702 0.75 KMT2A (0.38) MAPK1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3005242 0.75 MAPT (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1

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-20100190824-A1 Novel Substituted Piperidones as HSP Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-29 US claimed
US-20100190824-A1 Novel Substituted Piperidones as HSP Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-29 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-20100190824-A1 Novel Substituted Piperidones as HSP Inducers HSF1, HSPA4, HSPA5 IKBKB 1256/4885PRKAG1 1864/4885PRKAA1 1959/4885

“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.