SCHEMBL4471864

SCHEMBL4471864

CN1CCCN(c2ccc(N)cc2)C(=O)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
GFER P55789 3/20 0.46
ADRA2C P18825 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
HPGD P15428 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MEN1 O00255 3/20 0.39
RECQL P46063 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL853431 0.89 MAPT (0.53) SLC6A2SLC6A4ALDH1A1KMT2AKDM4E
SCHEMBL13665268 0.78 SLC6A2 (1.00) SLC6A2SLC6A4ALDH1A1KMT2AMAPT
SCHEMBL78465 0.76 ALDH1A1 (0.65) ALDH1A1HPGDDDB1CRBNL3MBTL1
SCHEMBL4711615 0.75 MAPT (0.44) SLC6A2SLC6A4ALDH1A1KMT2AKDM4E
SCHEMBL8340776 0.75 L3MBTL1 (0.56) SLC6A2SLC6A4KMT2AHPGDMEN1
SCHEMBL85175 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL12499581 0.74 SLC6A2 (0.49) SLC6A2SLC6A4ALDH1A1HPGDL3MBTL1
SCHEMBL157609 0.74 SLC6A2 (0.56) SLC6A2SLC6A4ALDH1A1MAPTL3MBTL1
SCHEMBL30962721 0.74 KMT2A (0.56) SLC6A2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL12499505 0.74 SLC6A2 (0.49) SLC6A2SLC6A4ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 SLC6A2 1946/4885SLC6A4 1366/4885ALDH1A1 508/4885

“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.