SCHEMBL25601971

SCHEMBL25601971

CC1CCC(NC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.71
RAB9A P51151 8/20 0.71
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
TAS1R2 Q8TE23 1/20 0.62
KMT2A Q03164 4/20 0.57
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 1/20 0.54
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MCHR1 Q99705 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL517500 0.91 NPC1 (0.65) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL532160 0.91 RAB9A (0.83) NPC1RAB9AKMT2ATSHRSMN1; SMN2
SCHEMBL517808 0.86 NPC1 (0.72) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL28658597 0.86 NPC1 (0.70) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL23573433 0.85 RAB9A (0.73) NPC1RAB9AKMT2ATSHRSMN1; SMN2
SCHEMBL3954763 0.85 RAB9A (0.73) NPC1RAB9AKMT2ATSHRSMN1; SMN2
SCHEMBL12093546 0.85 NPC1 (0.73) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL12084650 0.85 NPC1 (0.58) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL3809790 0.83 NPC1 (0.71) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL24359915 0.83 NPC1 (0.71) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 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-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 NPC1 2003/4885RAB9A 478/4885TAS1R3 448/4885

“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.