SCHEMBL4982014

SCHEMBL4982014

COc1ccc(OC)c(CNC(=O)NC2CCN(C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCHR1 Q99705 3/20 0.50
POLB P06746 2/20 0.50
SHMT2 P34897 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
USP2 O75604 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL4981108 0.91 KMT2A (0.58) SIGMAR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4980641 0.85 MCHR1 (0.63) SIGMAR1ALDH1A1NPC1RAB9AMCHR1
SCHEMBL4980231 0.82 RAB9A (0.74) SIGMAR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4979498 0.81 ALDH1A1 (0.63) SIGMAR1RXFP1ALDH1A1NPC1RAB9A
SCHEMBL4977767 0.81 MCHR1 (0.65) SIGMAR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4983996 0.80 RAB9A (0.56) SIGMAR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4981461 0.80 MCHR1 (0.52) SIGMAR1ALDH1A1THRBNPC1MCHR1
SCHEMBL5463995 0.79 NPC1 (0.56) RXFP1ALDH1A1THRBNPC1POLB
SCHEMBL13647189 0.76 HSD17B10 (0.56) ALDH1A1SHMT2MEN1KMT2A
SCHEMBL4981608 0.75 SMN1; SMN2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 SIGMAR1 93/4885RXFP1 155/4885ALDH1A1 451/4885

“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.