SCHEMBL6797729

SCHEMBL6797729

O=C(Nc1cccc2ccccc12)c1ccccc1-c1[c]cccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.67
CHRNB4 P30926 1/20 0.67
CHRNA3 P32297 1/20 0.67
CHRNA4 P43681 1/20 0.67
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL27936815 0.80 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL21275460 0.79 RAB9A (0.76) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL23706458 0.77 NPC1 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6804876 0.76 MDM4 (0.50) NPC1RAB9ACYP2C9CYP1A2CYP3A4
SCHEMBL331600 0.75 NPC1 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
Naptalam SCHEMBL8537412 0.75 HSD17B10 (0.74) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
Naptalam SCHEMBL29610802 0.75 HSD17B10 (0.74) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
Naptalam SCHEMBL29469565 0.75 HSD17B10 (0.74) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
Naptalam SCHEMBL54940 0.75 HSD17B10 (0.74) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL28053362 0.75 NPC1 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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 8 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
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
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 CHRNB2 2314/4885CHRNB4 2960/4885CHRNA3 2486/4885

“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.