SCHEMBL18330367

SCHEMBL18330367

CCNCC(=O)N1CCC(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
NPC1 O15118 3/20 0.56
DPP4 P27487 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.42
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25959453 0.84 DPP4 (0.45) ALDH1A1NPC1DPP4KMT2AMEN1
SCHEMBL2606045 0.81 ALDH1A1 (0.60) ALDH1A1NPC1KMT2AMEN1PHGDH
SCHEMBL25565796 0.81 ALDH1A1 (0.56) ALDH1A1NPC1KMT2AMEN1PHGDH
SCHEMBL24491912 0.81 ALDH1A1 (0.51) ALDH1A1NPC1KMT2AMEN1PHGDH
SCHEMBL24818614 0.80 DPP4 (0.47) ALDH1A1DPP4KMT2AMEN1KDM4E
SCHEMBL24323532 0.80 L3MBTL1 (0.48) ALDH1A1DPP4KMT2AMEN1KDM4E
SCHEMBL15337692 0.79 ALDH1A1 (0.58) ALDH1A1NPC1KMT2AMEN1PHGDH
SCHEMBL23984141 0.78 ALDH1A1 (0.49) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL10282539 0.78 ALDH1A1 (0.67) ALDH1A1NPC1KMT2AMEN1PHGDH
SCHEMBL13422266 0.77 HTR1A (0.46) ALDH1A1NPC1DPP4KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 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-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885NPC1 2113/4885DPP4 4590/4885

“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.