SCHEMBL3745191

SCHEMBL3745191

c1ccc(C2NCCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRCP P42785 1/20 0.41
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL1435756 0.90 SLC18A3 (0.46) SLC18A3SIGMAR1PRCPSLC6A2ADRA1A
Hydrochloric Acid SCHEMBL11019819 0.87 GAA (0.45) SLC18A3SIGMAR1PRCPSLC6A2ADRA1A
SCHEMBL1001194 0.75 MAPT (0.33) CHRNB2CHRNA4
SCHEMBL28216049 0.75 SLC18A3 (0.43) SLC18A3SIGMAR1PRCPSLC6A2ADRA1A
SCHEMBL1002011 0.72 HTR2C (0.41) SLC18A3SIGMAR1PRCPPOLBCHRNB2
SCHEMBL9829845 0.72 KDM1A (0.41) SLC18A3SIGMAR1PRCPPOLBCHRNB2
SCHEMBL16884707 0.72 ALDH1A1 (0.43) SLC18A3SIGMAR1PRCPPOLBSLC6A2
SCHEMBL167264 0.71 CHRNB2 (0.63) POLBCHRNB2CHRNA7CHRNA4MEN1
SCHEMBL21232 0.71 CHRNB2 (0.63) POLBCHRNB2CHRNA7CHRNA4MEN1
SCHEMBL170704 0.71 CHRNB2 (0.63) POLBCHRNB2CHRNA7CHRNA4MEN1

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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-8507500-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-08-13 US disclosed
US-8440724-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-14 US disclosed
US-20130059864-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-03-07 US disclosed
US-20100280127-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-11-04 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB SLC18A3 1904/4885SIGMAR1 643/4885PRCP 3286/4885

“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.