SCHEMBL29935968

SCHEMBL29935968

O=Cc1c[nH]c2cccc(F)c12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.64
FFAR1 O14842 1/20 0.53
GPR84 Q9NQS5 1/20 0.53
IMPDH2 P12268 1/20 0.52
HTR2A P28223 3/20 0.49
ERN1 O75460 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
RXFP3 Q9NSD7 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
SLC6A4 P31645 2/20 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
SCHEMBL1092485 1.00 CYP2A6 (0.64) CYP2A6FFAR1GPR84IMPDH2HTR2A
SCHEMBL15672105 0.85 CYP2A6 (0.54) CYP2A6FFAR1GPR84IMPDH2HTR2A
SCHEMBL15331057 0.85 CYP2A6 (0.55) CYP2A6FFAR1GPR84IMPDH2HTR2A
SCHEMBL29952428 0.82 CYP2A6 (0.70) CYP2A6IMPDH2ERN1PIM1PIM3
SCHEMBL29408411 0.79 CYP2A6 (0.66) CYP2A6IMPDH2PIM1PIM3PIM2
SCHEMBL248842 0.79 CYP2A6 (0.66) CYP2A6IMPDH2PIM1PIM3PIM2
SCHEMBL31447990 0.78 TDO2 (0.52) CYP2A6FFAR1GPR84HTR2AHTR2C
SCHEMBL16713913 0.78 TDO2 (0.52) CYP2A6FFAR1GPR84HTR2AHTR2C
SCHEMBL16713915 0.78 TDO2 (0.52) CYP2A6FFAR1GPR84HTR2AHTR2C
SCHEMBL644301 0.78 CYP2A6 (1.00) CYP2A6IMPDH2PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
WO-2025060786-A1 SIX-MEMBERED AND FIVE-MEMBERED FUSED RING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湘北威尔曼制药股份有限公司 2025-03-27 WO disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
EP-4313985-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE Equinorm Ltd (FI) 2024-02-07 EP disclosed
US-11891387-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-02-06 US disclosed
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-20220372030-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-11-24 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022207979-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD (FI) 2022-10-06 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 (7 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 CYP2A6 747/4885FFAR1 54/4885GPR84 162/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP2A6 627/4885FFAR1 38/4885GPR84 297/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP2A6 555/4885FFAR1 27/4885GPR84 266/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2A6 747/4885FFAR1 54/4885GPR84 162/4885
US-11891387-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP2A6 627/4885FFAR1 38/4885GPR84 297/4885
US-20220372030-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP2A6 627/4885FFAR1 38/4885GPR84 297/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP2A6 747/4885FFAR1 54/4885GPR84 162/4885

“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.