SCHEMBL22984288

SCHEMBL22984288

CC(C)N1CCC(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
KCNH2 Q12809 2/20 0.47
DRD3 P35462 2/20 0.47
PIM1 P11309 3/20 0.46
MCHR1 Q99705 1/20 0.42
CETP P11597 2/20 0.42
MGLL Q99685 1/20 0.42
HCRTR2 O43614 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2B P41595 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL24877515 0.86 DRD3 (0.43) DRD2KCNH2DRD3PIM1CETP
SCHEMBL30228465 0.85 MAP4K1 (0.51) DRD2DRD3MCHR1HCRTR2NOTUM
SCHEMBL18656539 0.85 MAP4K1 (0.51) DRD2DRD3MCHR1HCRTR2NOTUM
SCHEMBL10057678 0.83 DRD2 (0.62) DRD2KCNH2HRH3HTR1A
SCHEMBL19531523 0.83 EPHX2 (0.45) DRD2KCNH2HRH3
SCHEMBL23858272 0.81 DRD2 (0.56) DRD2DRD3PIM1MCHR1HCRTR2
SCHEMBL30228466 0.81 DRD2 (0.56) DRD2DRD3PIM1MCHR1HCRTR2
SCHEMBL25046792 0.79 HTR2C (0.45) DRD2DRD3MGLLHCRTR2NOTUM
SCHEMBL10057681 0.79 DRD2 (0.63) DRD2KCNH2DRD3HRH3CHRM2
SCHEMBL22815964 0.79 PIM1 (0.43) DRD2KCNH2PIM1MGLLHCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 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 (3 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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 DRD2 3627/4885KCNH2 3689/4885DRD3 3378/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 DRD2 3627/4885KCNH2 3689/4885DRD3 3378/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 DRD2 3627/4885KCNH2 3689/4885DRD3 3378/4885

“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.