SCHEMBL1636581

SCHEMBL1636581

CCCN(CCC)CCCCNC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
EPHX1 P07099 4/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RORC P51449 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
MCHR1 Q99705 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
MGLL Q99685 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
NLRP3 Q96P20 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14424473 0.88 EPHX1 (0.64) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL7157543 0.87 EPHX1 (0.67) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL17079618 0.87 EPHX1 (0.67) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL14424467 0.86 HDAC1 (0.60) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL11050029 0.85 CNR1 (0.63) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL1638316 0.85 NPC1 (0.54) HTTALDH1A1RORCLMNAMAPT
SCHEMBL14423993 0.83 CNR1 (0.62) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL7400930 0.81 CNR1 (0.59) CNR1EPHX1HTTALDH1A1SAE1
SCHEMBL1638263 0.81 RORC (0.50) HTTRORCSAE1UBA2MCHR1
SCHEMBL1637483 0.80 GHSR (0.61) CNR1EPHX1HTTALDH1A1HDAC1

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
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
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 CNR1 230/4885EPHX1 2206/4885HTT 3655/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CNR1 214/4885EPHX1 2075/4885HTT 3429/4885

“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.