SCHEMBL4977767

SCHEMBL4977767

COc1cccc(CNC(=O)NC2CCN(C)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.65
PKM P14618 2/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
SIGMAR1 Q99720 1/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.53
DRD4 P21917 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
MMP13 P45452 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4983996 0.88 RAB9A (0.56) MCHR1LMNASIGMAR1NPC1SMN1; SMN2
SCHEMBL4982704 0.87 CARM1 (0.55) MCHR1DRD4
SCHEMBL14263087 0.87 MCHR1 (0.52) MCHR1PKMHTTLMNANPC1
SCHEMBL4980231 0.85 RAB9A (0.74) MCHR1SIGMAR1NPC1SMN1; SMN2RAB9A
SCHEMBL14263126 0.84 SSTR1 (0.57) MCHR1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL14263134 0.84 DRD4 (0.55) MCHR1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL4981951 0.83 MCHR1 (0.56) MCHR1SIGMAR1KMT2AALDH1A1DRD4
SCHEMBL4981612 0.83 DRD4 (0.57) MCHR1LMNASIGMAR1SMN1; SMN2DRD4
SCHEMBL13746192 0.83 PKM (0.76) PKMLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL14263114 0.82 DRD4 (0.73) MCHR1SMN1; SMN2RAB9AKMT2AMEN1

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 MCHR1 132/4885PKM 3406/4885HTT 499/4885

“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.