SCHEMBL4770442

SCHEMBL4770442

Cn1nc2c(c1C(=O)O)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MAPT P10636 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
GAA P10253 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 3/20 0.35
POLQ O75417 2/20 0.34
GFER P55789 1/20 0.34
HTT P42858 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL24405748 0.98 POLB (0.96) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL23062881 0.96 POLB (0.93) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL17324712 0.85 POLB (0.74) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL5067149 0.84 POLB (0.72) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL16144859 0.84 MAPT (0.72) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL19997308 0.81 POLB (0.68) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL24405744 0.81 POLB (0.68) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL17321396 0.81 POLB (0.68) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL26690358 0.75 POLB (0.60) POLBL3MBTL1MAPTTDP1GAA
SCHEMBL19139654 0.75 POLB (0.59) POLBL3MBTL1MAPTTDP1GAA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
EP-0307801-B1 PYRAZOLE DERIVATIVE AND INSECTICIDAL AND MITICIDAL COMPOSITION CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1992-07-15 EP disclosed
US-4968805-A Pyrazole derivatives and insecticidal fungicidal and miticidal compositions thereof MITSUBISHI KASEI CORPORATION (JP) 1990-11-06 US disclosed
US-4861777-A Pyrazole derivative and insecticidal and miticidal composition containing the derivative as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-08-29 US disclosed
EP-0329020-A1 Pyrazole derivatives, processes for their manufacture and insecticidal, miticidal and fungicidal compositions containg the derivatives as active ingredients MITSUBISHI KASEI CORPORATION (JP) 1989-08-23 EP disclosed
EP-0307801-A1 Pyrazole derivative and insecticidal and miticidal composition containing the derivative as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-03-22 EP 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B POLB 4291/4885L3MBTL1 3351/4885MAPT 4090/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH POLB 3289/4885L3MBTL1 4361/4885MAPT 1623/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH POLB 3289/4885L3MBTL1 4361/4885MAPT 1623/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 POLB 3959/4885L3MBTL1 656/4885MAPT 329/4885

“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.