SCHEMBL6798342

SCHEMBL6798342

O=C(Nc1cc[c]cc1)N1CCc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.78
RAB9A P51151 7/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
NFKB1 P19838 4/20 0.78
NFKB2 Q00653 4/20 0.78
RELA Q04206 4/20 0.78
TP53 P04637 3/20 0.78
PKM P14618 3/20 0.78
MAPT P10636 5/20 0.67
MAOB P27338 1/20 0.67
HTR2C P28335 1/20 0.62
POLB P06746 1/20 0.59
USP2 O75604 1/20 0.56
NAMPT P43490 1/20 0.56
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
HSD17B10 Q99714 1/20 0.53
NOTUM Q6P988 1/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL382910 0.88 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28367564 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12692434 0.83 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL15879125 0.83 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19675330 0.83 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6350744 0.82 NPC1 (0.81) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12692444 0.81 RAB9A (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28367238 0.81 NPC1 (0.79) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12692514 0.80 NPC1 (0.74) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28367602 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 NPC1 875/4885RAB9A 1092/4885SMN1; SMN2 3337/4885

“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.