SCHEMBL4529316

SCHEMBL4529316

CNC(=O)CCCOc1ccc(C=O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAOB P27338 2/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
P2RY12 Q9H244 1/20 0.51
S1PR1 P21453 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDK2 Q15119 1/20 0.45
MAPT P10636 2/20 0.45
HDAC8 Q9BY41 4/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL4529312 0.89 ALDH1A1 (0.52) ALDH1A1MAOBS1PR1ROCK2ROCK1
SCHEMBL12744692 0.88 ALDH1A1 (0.51) ALDH1A1MAOBS1PR1ROCK2ROCK1
SCHEMBL1124419 0.85 ALDH1A1 (0.58) ALDH1A1MAOBPDE3BPDE3AP2RY12
SCHEMBL5879172 0.85 ALDH1A1 (0.58) ALDH1A1MAOBPDE3BPDE3AP2RY12
SCHEMBL12371619 0.85 ALDH1A1 (0.58) ALDH1A1MAOBROCK2ROCK1SMN1; SMN2
SCHEMBL2160313 0.85 ALDH1A1 (0.54) ALDH1A1MAOBS1PR1ROCK2ROCK1
SCHEMBL12238250 0.83 PDE3B (0.52) PDE3BPDE3AP2RY12SMN1; SMN2PDK2
SCHEMBL2554393 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHDAC8HPGD
SCHEMBL20122046 0.83 MAPT (0.48) ALDH1A1PDE3BPDE3AP2RY12SMN1; SMN2
SCHEMBL14586326 0.83 LMNA (0.49) ALDH1A1PDE3BPDE3AP2RY12SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762008-A1 HYBRID MU OPIOID RECEPTOR AND NEUROPEPTIDE FF RECEPTOR BINDING MOLECULES, THEIR METHODS OF PREPARATION AND APPLICATIONS IN THERAPEUTIC TREATMENT Centre National de la Recherche Scientifique (FR) 2021-01-13 EP disclosed
US-20210002231-A1 HYBRID MU OPIOID RECEPTOR AND NEUROPEPTIDE FF RECEPTOR BINDING MOLECULES, THEIR METHODS OF PREPARATION AND APPLICATIONS IN THERAPEUTIC TREATMENT UNIVERSITÉ DE STRASBOURG (FR) 2021-01-07 US disclosed
WO-2019170919-A1 HYBRID MU OPIOID RECEPTOR AND NEUROPEPTIDE FF RECEPTOR BINDING MOLECULES, THEIR METHODS OF PREPARATION AND APPLICATIONS IN THERAPEUTIC TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-12 WO disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7091247-B2 Biphenyl compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-15 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
US-20040106792-A1 Biphenyl compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 US disclosed
EP-1295867-A1 BIPHENYL COMPOUND Takeda Chemical Industries, Ltd. (JP) 2003-03-26 EP 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-20040106792-A1 Biphenyl compound GPR4, GPR139, GPR142 ALDH1A1 1307/4885MAOB 3511/4885PDE3B 2890/4885
US-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A ALDH1A1 60/4885MAOB 1051/4885PDE3B 2040/4885
US-20210002231-A1 HYBRID MU OPIOID RECEPTOR AND NEUROPEPTIDE FF RECEPTOR BINDING MOLECULES, THEIR METHODS OF PREPARATION AND APPLICATIONS IN THERAPEUTIC TREATMENT OPRL1, OPRM1, NPFFR1 ALDH1A1 3967/4885MAOB 805/4885PDE3B 3155/4885

“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.