SCHEMBL6135091

SCHEMBL6135091

COCCCCCCCN1CCC(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MAOB P27338 1/20 0.47
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
DRD2 P14416 3/20 0.45
CCR2 P41597 1/20 0.45
MCHR1 Q99705 1/20 0.45
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL6134824 0.89 HRH1 (0.48) ALDH1A1HRH3MAOBSLC18A3SIGMAR1
SCHEMBL6134968 0.87 MAOB (0.47) ALDH1A1HRH3MAOBSLC18A3SIGMAR1
SCHEMBL6134473 0.84 OPRM1 (0.52) ALDH1A1LMNAHRH3
SCHEMBL6134554 0.81 HRH3 (0.51) HRH3DRD2
SCHEMBL6133163 0.80 ALDH1A1 (0.44) ALDH1A1LMNAMAPTHRH3HDAC3
SCHEMBL6134946 0.79 DGAT1 (0.44) ALDH1A1HRH3MAOBSIGMAR1DRD2
SCHEMBL4636206 0.79 SLC18A3 (0.53) ALDH1A1LMNAHRH3SLC18A3SIGMAR1
SCHEMBL63533 0.79 SLC18A3 (0.53) ALDH1A1LMNAMAPTHRH3SLC18A3
SCHEMBL6134641 0.78 HRH1 (0.49) ALDH1A1LMNAMAPTHRH3DRD2
SCHEMBL6134711 0.78 CSNK2A2 (0.51) HRH3MAOBSLC18A3SIGMAR1

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 ALDH1A1 3841/4885LMNA 2671/4885MAPT 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.