SCHEMBL5906815

SCHEMBL5906815

CN(C)C=CC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
NPC1 O15118 1/20 0.68
POLB P06746 1/20 0.68
HSP90AA1 P07900 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MAOB P27338 3/20 0.63
ABCG2 Q9UNQ0 1/20 0.62
RECQL P46063 1/20 0.62
MAPT P10636 2/20 0.60
HPGD P15428 1/20 0.60
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
EGFR P00533 3/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.57
PARP10 Q53GL7 1/20 0.56

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
SCHEMBL5906811 1.00 ALDH1A1 (0.68) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL9741569 0.90 MAOB (0.62) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL9738355 0.86 MAOB (0.57) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL6504735 0.84 MAPT (0.65) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL6504737 0.84 MAPT (0.65) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL7028240 0.82 MAOB (0.68) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL12722758 0.82 MAOB (0.53) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL31276086 0.81 MAPT (0.69) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL28865784 0.81 ALDH1A1 (1.00) ALDH1A1NPC1POLBHSP90AA1RAB9A
SCHEMBL5475341 0.81 MAPT (0.69) ALDH1A1NPC1POLBHSP90AA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed
US-5110831-A Antiinflammatory agents; leukotriene antagonists DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-05-05 US 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 ALDH1A1 655/4885NPC1 2323/4885POLB 3697/4885

“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.