SCHEMBL6135617

SCHEMBL6135617

COCCCCCCCN1CCN(c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HTR7 P34969 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
DRD3 P35462 3/20 0.48
DRD2 P14416 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL6133614 0.92 DRD3 (0.52) MAPTPOLBALDH1A1TSHRHRH3
SCHEMBL6134554 0.87 HRH3 (0.51) HRH3DRD3DRD2
SCHEMBL5787289 0.85 MAPT (0.59) MAPTPOLBALDH1A1TSHRHTR7
SCHEMBL6134734 0.85 HRH3 (0.51) MAPTALDH1A1TSHRHRH3DRD3
SCHEMBL6134614 0.84 DRD3 (0.47) MAPTPOLBALDH1A1TSHRHRH3
SCHEMBL6134968 0.82 MAOB (0.47) ALDH1A1HRH3DRD2HTT
SCHEMBL6132700 0.82 ALDH1A1 (0.46) MAPTALDH1A1TSHRSMN1; SMN2HDAC3
SCHEMBL6132706 0.82 ALDH1A1 (0.46) MAPTALDH1A1TSHRSMN1; SMN2HDAC3
SCHEMBL6134389 0.81 DRD3 (0.51) HRH3DRD3DRD2
SCHEMBL6132756 0.81 ALDH1A1 (0.45) MAPTALDH1A1TSHRSMN1; SMN2HDAC3

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 MAPT 1629/4885POLB 1754/4885ALDH1A1 3841/4885

“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.