SCHEMBL6135422

SCHEMBL6135422

COCCCCCCN1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.60
SLC6A4 P31645 3/20 0.60
DRD2 P14416 5/20 0.53
DRD4 P21917 1/20 0.53
KCNH2 Q12809 4/20 0.53
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.50
DRD3 P35462 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
IGF1R P08069 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL19297522 0.94 SLC6A2 (0.60) SLC6A2SLC6A4DRD2DRD4KCNH2
SCHEMBL14852368 0.83 KDM4E (0.72) SLC6A2SLC6A4DRD2DRD4KCNH2
SCHEMBL6135382 0.82 HRH3 (0.57) SLC6A4DRD2KCNH2KDM4EGAA
SCHEMBL6135083 0.82 HRH3 (0.57) SLC6A4DRD2KCNH2KDM4EGAA
SCHEMBL6135057 0.82 HRH3 (0.57) SLC6A4DRD2KCNH2KDM4EGAA
SCHEMBL13321085 0.81 KDM4E (0.69) SLC6A2SLC6A4DRD2DRD4KCNH2
SCHEMBL13103801 0.80 DRD2 (0.56) SLC6A2SLC6A4DRD2DRD4KCNH2
SCHEMBL28699857 0.80 ALDH1A1 (0.56) SLC6A2SLC6A4DRD2DRD4KCNH2
SCHEMBL23097718 0.79 DRD2 (0.68) SLC6A2SLC6A4DRD2DRD4KDM4E
SCHEMBL6134554 0.79 HRH3 (0.51) DRD2DRD4HSD17B10DRD3

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 SLC6A2 4745/4885SLC6A4 4708/4885DRD2 4545/4885

“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.