SCHEMBL6798652

SCHEMBL6798652

[NH]C(=O)N1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
SIGMAR1 Q99720 1/20 0.67
TSHR P16473 4/20 0.66
ALDH1A1 P00352 4/20 0.64
HPGD P15428 2/20 0.64
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
PKM P14618 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 1/20 0.57

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
SCHEMBL4295603 0.89 SMN1; SMN2 (0.74) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL5492978 0.84 SMN1; SMN2 (0.79) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL29804966 0.84 NOTUM (0.72) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL17117378 0.84 NOTUM (0.72) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL789554 0.82 ALDH1A1 (0.71) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL29449730 0.82 ALDH1A1 (0.71) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL6000060 0.81 NOTUM (0.68) NOTUMSIGMAR1TSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL10741975 0.81 ALDH1A1 (0.69) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL43169 0.81 NOTUM (0.68) NOTUMSIGMAR1TSHRALDH1A1HPGD
SCHEMBL396037 0.81 NOTUM (1.00) NOTUMSIGMAR1TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NOTUM 2933/4885SIGMAR1 42/4885TSHR 916/4885

“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.