SCHEMBL20652800

SCHEMBL20652800

CC(C)N1c2nc(-c3cccnc3OCC3CC3(F)F)n(Cc3ccc(F)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.32
▸ ACACB O00763 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RX3 P56373 2/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MKNK2 Q9HBH9 2/20 0.31
▸ AXL P30530 3/20 0.31
▸ LMNA P02545 2/20 0.30
▸ TP53 P04637 2/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 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
SCHEMBL20652824 0.94 ACACB (0.32) ACACBCYP1A2CYP2C9CYP2C19MKNK2
SCHEMBL24095603 0.85 FFAR4 (0.34) P2RX3
SCHEMBL20656237 0.85 P2RX3 (0.42) P2RX3
SCHEMBL24095552 0.83 CACNA2D1 (0.34) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20652976 0.78 PKM (0.39) ENPP2P2RX3TP53CNR1KDM4E
SCHEMBL24095597 0.78 P2RX7 (0.33) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20652949 0.78 PKM (0.39) ENPP2P2RX3TP53CNR1KDM4E
SCHEMBL20652818 0.78 CNR2 (0.35) P2RX3
SCHEMBL20652832 0.78 PKM (0.39) ENPP2P2RX3TP53CNR1KDM4E
SCHEMBL20656170 0.78 P2RX3 (0.34) P2RX3

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-10329292-B2 Substituted xanthine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 — — US disclosed
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — 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-10329292-B2 Substituted xanthine derivatives TRPC5, TRPV1, TRPC4 ENPP2 407/4885ACACB 2674/4885CYP1A2 1395/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 ENPP2 381/4885ACACB 2478/4885CYP1A2 1626/4885

“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.

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