SCHEMBL25161908

SCHEMBL25161908

CCC(C)(C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 2/20 0.57
NR1H4 Q96RI1 1/20 0.49
S1PR1 P21453 2/20 0.49
EGFR P00533 1/20 0.48
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
NOTUM Q6P988 1/20 0.43
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42
MAPT P10636 5/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
IKBKB O14920 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.38
KIF11 P52732 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6468532 0.87 NPC1 (0.60) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL18195112 0.84 NPC1 (0.66) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL19422610 0.83 NPC1 (0.53) NPC1RAB9AKDM4ETP53POLB
SCHEMBL14230509 0.83 NPC1 (0.46) NPC1RAB9AKDM4ES1PR1TP53
SCHEMBL3293191 0.80 NPC1 (0.75) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL2623780 0.80 NPC1 (0.75) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL22116883 0.80 NPC1 (0.60) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL6296907 0.79 NPC1 (0.72) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL1104799 0.79 NPC1 (0.72) NPC1RAB9AKDM4ENR1H4S1PR1
SCHEMBL29085603 0.77 NPC1 (0.57) NPC1RAB9AKDM4ENR1H4S1PR1

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-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 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-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H NPC1 670/4885RAB9A 2616/4885KDM4E 1583/4885

“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.