SCHEMBL446278

SCHEMBL446278

Nc1ccc2c(c1)C[N]CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 2/20 0.35
CA9 Q16790 2/20 0.35
GRIN2B Q13224 1/20 0.35
NR1H2 P55055 1/20 0.33
TLR9 Q9NR96 1/20 0.33
EGFR P00533 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL586129 0.92 LMNA (0.38) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL585777 0.82 LMNA (0.43) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL1991616 0.75 HTR5A (0.37) KMT2ACA1CA2ADRA2AACHE
SCHEMBL585704 0.75 HTR2A (0.48) ADRA2AACHEHTT
SCHEMBL5543450 0.75 PNMT (0.46) ADRA2A
SCHEMBL3020052 0.75 PNMT (0.46) ADRA2AKDRHSD17B3
SCHEMBL17925963 0.74
SCHEMBL444147 0.71 DRD2 (0.47) MAPTKDM4EALDH1A1ADRA2ADRD1
SCHEMBL2300516 0.71 PNMT (0.39)
SCHEMBL2302227 0.71 PNMT (0.51) DRD3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 CN claimed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US claimed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP claimed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO claimed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
CN-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 CN disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
CN-102333568-B Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-01-20 CN disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
EP-2882712-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & Cª S.A. (PT) 2015-06-17 EP disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (4 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 LMNA 2523/4885MAPT 1705/4885RAB9A 2266/4885
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS REN, F12, HAT1 LMNA 1957/4885MAPT 2906/4885RAB9A 325/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 LMNA 1797/4885MAPT 3077/4885RAB9A 2215/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 LMNA 1797/4885MAPT 3077/4885RAB9A 2215/4885

“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.