SCHEMBL1637232

SCHEMBL1637232

CCCN(CCC)CCCCN1CCc2cc(C#N)ccc2C1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.77
DRD2 P14416 10/20 0.77
DRD4 P21917 2/20 0.46
OPRM1 P35372 2/20 0.46
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
ABCB1 P08183 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
HTR1D P28221 3/20 0.40
HTR1B P28222 2/20 0.40

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
SCHEMBL3348927 0.82 DRD2 (1.00) DRD3DRD2DRD4OPRM1HTR1A
SCHEMBL7976739 0.81 DRD3 (0.74) DRD3DRD2DRD4OPRM1HTR1A
SCHEMBL1798336 0.81 DRD2 (0.50) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL1795403 0.80 DRD3 (0.49) DRD3DRD2HTR1AHTR7ABCB1
SCHEMBL6369697 0.79 DRD2 (0.74) DRD3DRD2DRD4OPRM1HTR1A
SCHEMBL1797089 0.77 ACACB (0.49) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL7844061 0.76 DRD2 (0.74) DRD3DRD2DRD4OPRM1HTR1A
SCHEMBL81130 0.74 DRD2 (0.74) DRD3DRD2DRD4OPRM1HTR1A
SCHEMBL15025183 0.72 DRD2 (0.62) DRD3DRD2DRD4OPRM1HTR2A
SCHEMBL4767841 0.71 DRD2 (0.63) DRD3DRD2DRD4OPRM1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 DRD3 283/4885DRD2 175/4885DRD4 834/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 DRD3 435/4885DRD2 257/4885DRD4 1069/4885

“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.