SCHEMBL25436364

SCHEMBL25436364

O=C1c2c(C(F)(F)F)cc(-c3ccc(F)cc3C(F)(F)F)n2CCC1(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.32
PER2 O15055 2/20 0.32
CRY2 Q49AN0 1/20 0.32
GPR183 P32249 1/20 0.31
P2RX7 Q99572 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
TRPA1 O75762 1/20 0.30
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30

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
SCHEMBL24109684 0.78 AR (0.37) ARPDE3BPDE3A
SCHEMBL24109681 0.78 PDE3B (0.30) PDE3BPDE3A
SCHEMBL24109994 0.73
SCHEMBL24109998 0.73 SMO (0.35) AR
SCHEMBL16639240 0.60 CA1 (0.37) PER2CRY2CA1CA2CA7
SCHEMBL31277781 0.59 AKR1B1 (0.40) CA1CA2CA7CA9
SCHEMBL3700761 0.59 AKR1B1 (0.40) CA1CA2CA7CA9
SCHEMBL18002676 0.58 AR (0.42) ARP2RX7TRPA1PDE3BPDE3A
SCHEMBL28570266 0.57 AR (0.47) ARTRPA1PDE3BPDE3A
SCHEMBL4718971 0.56 CHRM5 (0.33) ARPER2TRPA1PDE3BPDE3A

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-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 US claimed
US-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 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-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF CYP11B2, CYP11B1, CYP1B1 AR 1068/4885PER2 4105/4885CRY2 2868/4885

“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.