SCHEMBL22984284

SCHEMBL22984284

CC(C)N1CCN(c2cccc(S(F)(F)(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KHK P50053 1/20 0.44
HDAC4 P56524 1/20 0.43
ADRA2C P18825 1/20 0.42
ESRRG P62508 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD11B1 P28845 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL18656564 0.83 ADRA2C (0.61) KDM4EALDH1A1MAPTADRA2CESR2
SCHEMBL22984283 0.80 KDM4E (0.61) KDM4EALDH1A1MAPTPKMKHK
SCHEMBL18656551 0.79 ADRA2C (0.42) ALDH1A1MAPTADRA2C
SCHEMBL26231980 0.79 KDM4E (0.50) VCPKDM4EALDH1A1MAPTPKM
SCHEMBL2452440 0.77 ADRA2C (0.66) VCPKDM4EALDH1A1MAPTPKM
SCHEMBL12377879 0.77 ADRB1 (0.59) KDM4EALDH1A1MAPTPKMKHK
SCHEMBL18642123 0.76 HTR7 (0.57) ALDH1A1MAPT
SCHEMBL19009076 0.76 ALDH1A1 (0.50) VCPKDM4EALDH1A1MAPTPKM
SCHEMBL17547057 0.76 KDM4E (0.50) VCPKDM4EALDH1A1MAPTPKM
SCHEMBL11955707 0.76 HTR3E (0.58) ALDH1A1MAPT

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
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-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 (2 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 VCP 3746/4885KDM4E 2503/4885ALDH1A1 2638/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 VCP 3746/4885KDM4E 2503/4885ALDH1A1 2638/4885

“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.