SCHEMBL24848645

SCHEMBL24848645

CC(C)NC(=O)c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
GRM5 P41594 3/20 0.40
CHRM2 P08172 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FDPS P14324 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CTSS P25774 1/20 0.39
FAAH O00519 5/20 0.38
CES1 P23141 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL24568625 0.86 TAS1R3 (0.38) GRM5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24567561 0.82 KDM4C (0.35) GRM5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6959169 0.79
SCHEMBL21213529 0.77 HPGD (0.45) NPC1RAB9AFAAH
SCHEMBL2522953 0.76
SCHEMBL742254 0.75
SCHEMBL4538623 0.75
SCHEMBL888676 0.75 FAAH (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6959166 0.75
SCHEMBL11613775 0.74 FAAH (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 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-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 NPC1 2139/4885TSHR 587/4885RAB9A 3043/4885

“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.