SCHEMBL3244440

SCHEMBL3244440

C(#Cc1c[c]cnc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.55
APP P05067 1/20 0.48
MAPT P10636 2/20 0.39
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL28089 0.75
SCHEMBL4619639 0.73 GRM5 (0.34) GRM5
SCHEMBL28077 0.72
SCHEMBL4860070 0.72 GRM5 (1.00) GRM5APPMAPT
SCHEMBL2189486 0.72 APP (0.60) GRM5APPMAPTNPC1SMN1; SMN2
SCHEMBL5393293 0.71 CHRNB2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL401836 0.70 GRM5 (0.64) GRM5APPCYP1A2CYP3A4CYP2C9
SCHEMBL31673222 0.70 GRM5 (0.64) GRM5APPCYP1A2CYP3A4CYP2C9
SCHEMBL2188836 0.70 APP (0.57) GRM5APPMAPTNPC1SMN1; SMN2
Diphenylacetylene SCHEMBL28323591 0.69 APP (0.86) GRM5APPMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US claimed
JP-2002543070-A 2002-12-17 JP claimed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US claimed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP claimed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO claimed
EP-1551844-B1 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR SAU (ES) 2010-07-28 EP disclosed
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
US-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
US-20060173030-A1 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2006-08-03 US disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US disclosed
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 WO disclosed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 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 (3 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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 GRM5 92/4885APP 1914/4885MAPT 1195/4885
US-20060173030-A1 Antitumoral analogs of lamellarins PLIN3, LPAR3, LPAR2 GRM5 4530/4885APP 4360/4885MAPT 4877/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 GRM5 88/4885APP 1825/4885MAPT 1160/4885

“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.