SCHEMBL21819349

SCHEMBL21819349

Cn1nc2c(c1-c1ccccc1)CCN(C(=O)O)C2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.67
▸ SHMT2 P34897 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CREBBP Q92793 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ MTHFD2 P13995 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ IGF1R P08069 1/20 0.37

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
SCHEMBL21818604 0.84 P2RX7 (0.59) P2RX7
SCHEMBL16037122 0.84 P2RX7 (0.62) P2RX7
SCHEMBL21818611 0.81 P2RX7 (0.73) P2RX7MTHFD2
SCHEMBL21819155 0.81 P2RX7 (0.64) P2RX7
SCHEMBL31133399 0.81 P2RX7 (0.61) P2RX7SHMT2
SCHEMBL21818671 0.81 P2RX7 (0.61) P2RX7MTHFD2
SCHEMBL21819467 0.81 P2RX7 (0.61) P2RX7SHMT2
SCHEMBL21818389 0.81 P2RX7 (0.67) P2RX7
SCHEMBL21818614 0.81 P2RX7 (0.73) P2RX7
SCHEMBL31133303 0.81 P2RX7 (0.73) P2RX7MTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 — — US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
US-20200102303-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP P2RX7 1930/4885SHMT2 4512/4885CNR1 372/4885
US-20200102303-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP P2RX7 1930/4885SHMT2 4512/4885CNR1 372/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP P2RX7 1930/4885SHMT2 4512/4885CNR1 372/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP P2RX7 1930/4885SHMT2 4512/4885CNR1 372/4885

“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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