SCHEMBL25930862

SCHEMBL25930862

CC1CCN(C(=O)CCI)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 5/20 0.60
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL15337702 0.83 ALDH1A1 (0.64) NPC1ALDH1A1RAB9ALMNAHPGD
SCHEMBL10274470 0.82 NPC1 (0.74) NPC1ALDH1A1RAB9ALMNAHPGD
SCHEMBL14417848 0.82 NPC1 (0.74) NPC1ALDH1A1RAB9ALMNAHPGD
SCHEMBL15224251 0.80 NPC1 (0.71) NPC1ALDH1A1RAB9ALMNAHPGD
SCHEMBL13673411 0.79 L3MBTL3 (0.49) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13673413 0.79 NPC1 (0.46) NPC1ALDH1A1KMT2AMEN1ATM
SCHEMBL15071468 0.78 POLB (0.57) NPC1ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL14417832 0.78 NPC1 (0.81) NPC1ALDH1A1RAB9ALMNAHPGD
SCHEMBL14174867 0.78 NPC1 (0.69) NPC1ALDH1A1RAB9ALMNAHPGD
SCHEMBL9062091 0.78 NPC1 (0.81) NPC1ALDH1A1RAB9ALMNAHPGD

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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS NPC1 2113/4885ALDH1A1 2792/4885RAB9A 83/4885

“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.