SCHEMBL6134380

SCHEMBL6134380

COCCCCCCN1CCC(Oc2ccc(N3CCN(c4ccc(-c5ccc(C(=O)O)cc5)cc4)CC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
CCR3 P51677 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 7/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
SSTR5 P35346 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 2/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ACACB O00763 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
SCHEMBL6134957 0.91 CTSL (0.47) HRH3CTSLCTSBCTSSDRD3
SCHEMBL6134389 0.88 DRD3 (0.51) KCNH2HRH3DRD3DRD2HTR2A
Hydrochloric Acid SCHEMBL6133784 0.84 CSNK2A2 (0.48) HRH3CTSLCTSBCTSSSSTR5
SCHEMBL6135261 0.81 KMT2A (0.50) HRH1HRH3CTSLCTSBCTSS
SCHEMBL6134783 0.80 HDAC3 (0.49) HRH1HRH3CTSLCTSBCTSS
SCHEMBL6134473 0.80 OPRM1 (0.52) HRH3CTSLCTSBCTSSLMNA
SCHEMBL6135605 0.78 CSNK2A2 (0.53) HRH3DRD3DRD2HTR2ATHRA
SCHEMBL6133614 0.78 DRD3 (0.52) KCNH2HRH3DRD3DRD2KMT2A
SCHEMBL6135365 0.78 OPRM1 (0.49) HRH3CTSLCTSBCTSSLMNA
Hydrochloric Acid SCHEMBL7331330 0.77 TSHR (0.57) HRH3LMNATHRATHRBALDH1A1

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 HRH1 1307/4885CCR3 673/4885KCNH2 2774/4885

“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.