SCHEMBL21840106

SCHEMBL21840106

O=C(O)N1CCC2(CC1)CC(F)(F)C2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.35
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
USP2 O75604 1/20 0.33
SPR P35270 2/20 0.32
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 3/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL19717646 0.88 CYP1A2 (0.34) CYP2D6CYP2C9CYP1A2USP2CYP2C19
SCHEMBL3327476 0.81 DPP4 (0.37) USP2ALDH1A1CYP3A4DPP4DPP7
SCHEMBL18711622 0.81 USP2 (0.46) CYP2D6CYP2C9CYP1A2USP2CYP2C19
SCHEMBL933548 0.79 USP2 (0.41) CYP2D6CYP2C9CYP1A2USP2CYP2C19
SCHEMBL18701844 0.76 EPHX2 (0.42) CYP2D6CYP2C9CYP1A2SPRALDH1A1
SCHEMBL8513076 0.76 SPR (0.30) SPR
SCHEMBL3924590 0.75 HSD11B1 (0.42) CYP2D6CYP2C9CYP1A2USP2CYP2C19
SCHEMBL751237 0.75 USP2 (0.39) CYP2D6CYP2C9CYP1A2USP2SPR
SCHEMBL1125850 0.74 DPP4 (0.37) CYP2D6CYP2C9CYP1A2SPRALDH1A1
SCHEMBL23672439 0.74 USP2 (0.33) CYP2D6CYP2C9CYP1A2USP2CYP2C19

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
WO-2025054361-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2025-03-13 WO disclosed
US-10889591-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-01-12 US disclosed
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2020-04-16 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-10889591-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B CYP2D6 515/4885CYP2C9 59/4885CYP1A2 331/4885
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B CYP2D6 515/4885CYP2C9 59/4885CYP1A2 331/4885

“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.