SCHEMBL888150

SCHEMBL888150

CN(C)CCC(Cc1ccccc1)N=C=N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HRH1 P35367 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAOB P27338 5/20 0.41
UBE2N P61088 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
CHRM1 P11229 1/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRK1 P41145 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOA P21397 3/20 0.37
CYP1A2 P05177 2/20 0.37
ADRA2A P08913 1/20 0.37
SNCA P37840 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL8973707 0.83 CYP2D6 (0.40) CYP1A2CYP2D6
SCHEMBL4650418 0.80 HTR2A (0.41) HTR2AHRH1TAAR1MAOBUBE2N
Hydrochloric Acid SCHEMBL182034 0.72
Hydrochloric Acid SCHEMBL8472312 0.72
SCHEMBL1893546 0.72 SIGMAR1 (0.47) HTR2ATAAR1MAOBSIGMAR1ADRA2B
SCHEMBL26730248 0.72 HTR2A (0.53) HTR2AHRH1TAAR1UBE2NSIGMAR1
SCHEMBL6205916 0.70 EPHX1 (0.59) HTR2AHRH1TAAR1UBE2NSIGMAR1
Iodomethane SCHEMBL8880489 0.70
SCHEMBL10587652 0.70 HTR2A (0.47) HTR2AHRH1TAAR1MAOBUBE2N
SCHEMBL15061219 0.70 HTR2A (0.47) HTR2AHRH1TAAR1UBE2NSIGMAR1

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-20110275077-A1 Oligonucleotide-Coated Affinity Membranes and Uses Thereof JAMES WILLIAM 2011-11-10 US claimed
US-20110275077-A1 Oligonucleotide-Coated Affinity Membranes and Uses Thereof JAMES WILLIAM 2011-11-10 US disclosed
US-5354891-A Rearrangement of an ortho-alkyl or -aryloxy-substituted hydroxamic acid in the presence of a base and a nitrile under mild conditions FUJI PHOTO FILM CO., LTD. (JP) 1994-10-11 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-20110275077-A1 Oligonucleotide-Coated Affinity Membranes and Uses Thereof CD2BP2, CPSF6, CPSF1 HTR2A 4595/4885HRH1 4651/4885TAAR1 4407/4885

“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.