SCHEMBL6538566

SCHEMBL6538566

CCCCCCOc1ccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
OPRD1 P41143 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
OPRK1 P41145 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CHRM4 P08173 1/20 0.48
CCR1 P32246 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HRH2 P25021 3/20 0.46
HRH1 P35367 3/20 0.46
NOS2 P35228 1/20 0.45
CCR5 P51681 2/20 0.45

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
SCHEMBL14922381 0.93 CHRM4 (0.50) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL751730 0.88 OPRD1 (0.47) OPRD1MEN1KMT2AOPRK1CHRM4
SCHEMBL14922733 0.88 MEN1 (0.52) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL751049 0.87 OPRD1 (0.53) OPRD1MEN1KMT2AOPRK1CHRM4
SCHEMBL8315425 0.84 OPRD1 (0.54) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL15020023 0.84 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6132577 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1LMNACHRM4
SCHEMBL7556949 0.82 CHRM4 (0.61) OPRD1MEN1KMT2AOPRK1CHRM4
SCHEMBL6538473 0.81 GPR119 (0.52) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL15019539 0.81 GPR119 (0.52) DRD2DRD4DRD3MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA DRD2 3896/4885DRD4 4036/4885DRD3 3359/4885

“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.