SCHEMBL7692083

SCHEMBL7692083

Oc1cccc2[nH]c(COCc3ccccc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.59
▸ GRIN1 Q05586 1/20 0.59
▸ PDE10A Q9Y233 1/20 0.48
▸ TSHR P16473 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL21684610 0.83 TSHR (0.43) GRIN2BGRIN1TSHRNPC1TP53
SCHEMBL9540471 0.82 GRIN2B (0.77) GRIN2BGRIN1PDE10ATSHRKDM4E
SCHEMBL7692081 0.77 TSHR (0.43) TSHRKDM4EL3MBTL1NPC1TP53
SCHEMBL9533100 0.75 GRIN1 (0.55) GRIN2BGRIN1PDE10ATSHRKDM4E
SCHEMBL10072578 0.73 GRIN1 (0.54) GRIN2BGRIN1PDE10ATSHRKDM4E
SCHEMBL4066021 0.73 GRIN1 (0.54) GRIN2BGRIN1PDE10ATSHRKDM4E
SCHEMBL11195004 0.73 GRIN1 (0.53) GRIN2BGRIN1PDE10ATSHRKDM4E
SCHEMBL7687482 0.72 RAB9A (0.63) GRIN2BGRIN1PDE10ATSHRL3MBTL1
SCHEMBL7684643 0.72 NPC1 (0.63) GRIN2BGRIN1PDE10ATSHRNPC1
SCHEMBL16523722 0.72 GRIN1 (0.52) GRIN2BGRIN1PDE10AKDM4EGAA

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-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 — — US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 — — US disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 — — EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 — — 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 (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-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R GRIN2B 722/4885GRIN1 804/4885PDE10A 921/4885

“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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