SCHEMBL20224787

SCHEMBL20224787

CN1CCC(OCCI)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
NCF1 P14598 1/20 0.37
CHRM1 P11229 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CHRM2 P08172 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPK1 P28482 1/20 0.33
NMT1 P30419 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN1A P35498 1/20 0.32

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
SCHEMBL25645560 0.82 NCF1 (0.39) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL12049582 0.80 NPC1 (0.42) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL22597889 0.78 NCF1 (0.41) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL791729 0.78 NPC1 (0.41) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL3425518 0.78 NPC1 (0.41) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL23970916 0.78 NCF1 (0.46) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL17873709 0.78
SCHEMBL25571582 0.77 NPC1 (0.64) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL6603242 0.77 GNAI3 (0.43) NPC1NCF1CHRM1HRH3CHRM2
SCHEMBL6603236 0.77 GNAI3 (0.43) NPC1NCF1CHRM1HRH3CHRM2

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-2024003533-A1 PROTACS FOR TARGETED DEGRADATION OF KAT2A AND KAT2B FOR THE TREATMENT OF CANCER UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2024-01-04 WO disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 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-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 NPC1 2674/4885NCF1 770/4885CHRM1 4817/4885

“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.