SCHEMBL6134711

SCHEMBL6134711

COCCCCCCCN1CCC(c2ccc(-c3nnc(-c4ccc(C(=O)O)cc4)s3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 7/20 0.51
CSNK2A1 P68400 7/20 0.51
DGAT1 O75907 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MAOB P27338 1/20 0.43
P2RY14 Q15391 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
SLC18A3 Q16572 1/20 0.41

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
SCHEMBL6134946 0.91 DGAT1 (0.44) CSNK2A2CSNK2A1DGAT1HRH3MAOB
Hydrochloric Acid SCHEMBL6133784 0.86 CSNK2A2 (0.48) CSNK2A2CSNK2A1HRH3NR1H4
Hydrochloric Acid SCHEMBL6135103 0.84 MKNK1 (0.47) CSNK2A2CSNK2A1HRH3MAOBP2RY14
SCHEMBL6135605 0.84 CSNK2A2 (0.53) CSNK2A2CSNK2A1HRH3NR1H4
Hydrochloric Acid SCHEMBL6135101 0.84 TP53 (0.41) CSNK2A2CSNK2A1HRH3MAOBP2RY14
SCHEMBL6133892 0.83 CSNK2A2 (0.42) CSNK2A2CSNK2A1DGAT1HRH3NR1H4
Trifluoroacetic Acid SCHEMBL6133865 0.83 MAOB (0.40) CSNK2A2CSNK2A1DGAT1HRH3MAOB
SCHEMBL6134617 0.82 HDAC3 (0.46) MAOBSIGMAR1
SCHEMBL1305330 0.79 SLC18A3 (0.58) HRH3SIGMAR1SLC18A3
SCHEMBL6134824 0.79 HRH1 (0.48) HRH3MAOBSIGMAR1SLC18A3

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 CSNK2A2 1527/4885CSNK2A1 961/4885DGAT1 3670/4885

“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.