SCHEMBL1495342

SCHEMBL1495342

c1ccc2[nH]c(NN3CCCCC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
KDM1A O60341 1/20 0.53
HTT P42858 1/20 0.53
CYP3A4 P08684 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
NPC1 O15118 3/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL1535710 0.98 BCHE (0.54) BCHEACHERAB9ASMN1; SMN2GAA
SCHEMBL11784173 0.76 TSHR (0.48) BCHEACHERAB9ASMN1; SMN2GAA
SCHEMBL29647608 0.74 CYP3A4 (0.61) BCHERAB9ASMN1; SMN2GAAMAPT
SCHEMBL1800355 0.74 CYP3A4 (0.61) BCHERAB9ASMN1; SMN2GAAMAPT
SCHEMBL8567589 0.74 TSHR (0.78) BCHEACHERAB9ASMN1; SMN2GAA
SCHEMBL28050241 0.74 RAB9A (0.68) BCHERAB9ASMN1; SMN2GAAMAPT
SCHEMBL1535706 0.73 LMNA (0.63) RAB9ASMN1; SMN2GAATDP1ALDH1A1
SCHEMBL717865 0.72 BCHE (1.00) BCHEACHERAB9ASMN1; SMN2MAPT
SCHEMBL2241920 0.72 BCHE (1.00) BCHEACHERAB9ASMN1; SMN2MAPT
SCHEMBL28728369 0.72 RAB9A (0.66) BCHERAB9ASMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP claimed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 WO claimed
CN-106663544-B Photo-electric conversion element, dye-sensitized solar cells, metal complex dye, pigment solution and terpyridyl or its carboxylate 富士胶片株式会社 2018-06-29 CN disclosed
CN-106663544-A Photoelectric conversion element, dye-sensitized solar cell, metal-complex pigment, pigment solution, and terpyridine compound or esterified terpyridine compound 富士胶片株式会社 2017-05-10 CN disclosed
CN-103450159-A Piperidine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD 2013-12-18 CN disclosed
CN-103450159-A Piperidine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD 2013-12-18 CN disclosed
EP-1723136-B1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2011-03-09 EP disclosed
EP-1723136-B1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2011-03-09 EP disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 US disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 US disclosed
US-7355051-B2 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2008-04-08 US disclosed
US-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-04-26 US disclosed
US-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-04-26 US disclosed
CN-1894239-A Piperidine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD (IE) 2007-01-10 CN disclosed
CN-1894239-A Piperidine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD (IE) 2007-01-10 CN disclosed
EP-1723136-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION Tibotec Pharmaceuticals Ltd. (IE) 2006-11-22 EP disclosed
WO-2005058873-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
US-5461059-A Antihistamine; treats allergies and asthma LABORATOIRE THERAMEX S.A. (FR) 1995-10-24 US disclosed
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP disclosed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 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 (2 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-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication NQO2, NOX1, NOX3 BCHE 4457/4885ACHE 4724/4885RAB9A 223/4885
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION NQO2, NOX3, NOX1 BCHE 4621/4885ACHE 4744/4885RAB9A 1057/4885

“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.