SCHEMBL6134614

SCHEMBL6134614

COCCCCCCCN1CCN(c2ccc(-c3nnc(-c4ccc(C(=O)OC)cc4)s3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.47
HRH3 Q9Y5N1 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DRD2 P14416 3/20 0.44
HTR7 P34969 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL6135605 0.91 CSNK2A2 (0.53) DRD3HRH3USP2CSNK2A2CSNK2A1
SCHEMBL6133614 0.90 DRD3 (0.52) DRD3HRH3MAPTPOLBDRD2
SCHEMBL6934067 0.84 ALDH1A1 (0.41) HRH3MAPTUSP2CSNK2A2CSNK2A1
SCHEMBL6132272 0.84 ALDH1A1 (0.41) HRH3MAPTUSP2CSNK2A2CSNK2A1
SCHEMBL6132291 0.84 ALDH1A1 (0.41) HRH3MAPTUSP2CSNK2A2CSNK2A1
SCHEMBL6134946 0.84 DGAT1 (0.44) HRH3CSNK2A2CSNK2A1DRD2ALDH1A1
SCHEMBL6135617 0.84 MAPT (0.51) DRD3HRH3MAPTPOLBDRD2
SCHEMBL6133706 0.84 HDAC3 (0.47) DRD3HRH3USP2CSNK2A2CSNK2A1
SCHEMBL6132414 0.83 ALDH1A1 (0.40) HRH3MAPTUSP2CSNK2A2CSNK2A1
SCHEMBL6135024 0.83 CTSL (0.46) HRH3CSNK2A2CSNK2A1ALDH1A1HTT

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 DRD3 3975/4885HRH3 1440/4885MAPT 1629/4885

“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.