SCHEMBL172597

SCHEMBL172597

CC(C)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
DRD3 P35462 3/20 0.61
OPRM1 P35372 2/20 0.61
CHRM2 P08172 2/20 0.61
ADRA2A P08913 2/20 0.61
CHRM1 P11229 2/20 0.61
DRD1 P21728 2/20 0.61
SLC6A3 Q01959 2/20 0.61
KCNH2 Q12809 2/20 0.61
CHRM4 P08173 1/20 0.61
CHRM5 P08912 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2D6 P10635 1/20 0.61
CHRM3 P20309 1/20 0.61
ADRA1D P25100 1/20 0.61

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
SCHEMBL11932543 0.90 P2RX7 (0.60) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL12489451 0.86 OPRM1 (0.59) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL23374618 0.83 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8371748 0.83 OPRD1 (0.67) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7647399 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7650625 0.81 OPRM1 (0.54) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8581258 0.81 OPRM1 (0.57) KMT2AMEN1ALDH1A1DRD3OPRM1
SCHEMBL8581260 0.81 OPRM1 (0.57) KMT2AMEN1ALDH1A1DRD3OPRM1
SCHEMBL11938950 0.80 OPRM1 (0.68) DRD3OPRM1CHRM2ADRA2ACHRM1
SCHEMBL7381083 0.79 DRD3 (0.60) KMT2AMEN1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KMT2A 2536/4885MEN1 4777/4885ALDH1A1 1004/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KMT2A 1311/4885MEN1 510/4885ALDH1A1 3443/4885

“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.