SCHEMBL16808998

SCHEMBL16808998

CCOC(=O)c1cc(-c2cnc(C#N)cc2C)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.42
▸ EGLN2 Q96KS0 3/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ EIF4EBP1 Q13541 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38

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
SCHEMBL16804976 0.81 FAAH (0.43) FAAHRAB9AKDM4EMAPTALDH1A1
SCHEMBL16804961 0.79 FAAH (0.46) FAAHRAB9AKDM4EMAPTHSD17B10
SCHEMBL16856556 0.79 FAAH (0.40) FAAHRAB9AKDM4EMAPTMMP2
SCHEMBL16804972 0.78 MMP13 (0.40) FAAHRAB9AATMKDM4EMAPT
SCHEMBL16804970 0.77 FAAH (0.45) FAAHRAB9AATMKDM4EMMP2
SCHEMBL15869867 0.76 FAAH (0.45) FAAHRAB9AKDM4EMAPTALDH1A1
SCHEMBL14799971 0.76 MMP13 (0.48) FAAHRAB9AKDM4EMAPTMMP2
SCHEMBL15869833 0.75 FAAH (0.49) FAAHKDM4EALDH1A1MMP2MMP13
SCHEMBL16804979 0.75 LMNA (0.46) FAAHRAB9AKDM4EMAPTMMP2
SCHEMBL16804999 0.74 MMP2 (0.45) FAAHRAB9AKDM4EMAPTMMP2

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
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 FAAH 1619/4885EGLN2 723/4885RAB9A 3615/4885

“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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