SCHEMBL21153574

SCHEMBL21153574

C[C@H](N)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.45
MPL P40238 3/20 0.44
PDE2A O00408 1/20 0.42
ADRB2 P07550 1/20 0.41
SUCNR1 Q9BXA5 5/20 0.40
TRPV3 Q8NET8 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL2399327 0.86 PDE2A (0.43) MPLPDE2AADRB2
SCHEMBL4228847 0.86 PDE2A (0.43) MPLPDE2AADRB2
SCHEMBL296445 0.86 PDE2A (0.43) MPLPDE2AADRB2
SCHEMBL5019023 0.86 PDE2A (0.43) MPLPDE2AADRB2
SCHEMBL21153576 0.85 MPL (0.42) KIF11MPLSUCNR1TRPV3FFAR1
Hydrochloric Acid SCHEMBL26615659 0.84 PDE2A (0.42) MPLPDE2AADRB2
Hydrochloric Acid SCHEMBL3701319 0.84 PDE2A (0.42) MPLPDE2AADRB2
SCHEMBL7865718 0.83 PDE2A (0.42) MPLPDE2AADRB2
SCHEMBL22766122 0.82 KIF11 (0.42) KIF11MPLSUCNR1TRPV3FFAR1
SCHEMBL31030963 0.80 MPL (0.55) KIF11MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183776-A2 TARGETING SUCNR1 TO REDUCE NEUROINFLAMMATION NEW YORK UNIVERSITY (US) 2023-09-28 WO disclosed
US-20230293504-A1 TARGETING SUCNR1 TO REDUCE NEUROINFLAMMATION UNIV NEW YORK (US) 2023-09-21 US disclosed
US-20230293504-A1 TARGETING SUCNR1 TO REDUCE NEUROINFLAMMATION UNIV NEW YORK (US) 2023-09-21 US disclosed
US-11376216-B2 Periodontal disease therapy NEW YORK UNIVERSITY (US) 2022-07-05 US disclosed
US-20200383902-A1 PERIODONTAL DISEASE THERAPY NEW YORK UNIVERSITY 2020-12-10 US disclosed
WO-2019136022-A1 PERIODONTAL DISEASE THERAPY NEW YORK UNIVERSITY (US) 2019-07-11 WO 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-11376216-B2 Periodontal disease therapy SUCNR1, SDHA, GCDH KIF11 4617/4885MPL 1625/4885PDE2A 72/4885
US-20230293504-A1 TARGETING SUCNR1 TO REDUCE NEUROINFLAMMATION SUCNR1, SYNGR2, TSPO KIF11 4161/4885MPL 4456/4885PDE2A 4342/4885
US-20200383902-A1 PERIODONTAL DISEASE THERAPY SUCNR1, SDHA, GCDH KIF11 4617/4885MPL 1625/4885PDE2A 72/4885

“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.