SCHEMBL6370737

SCHEMBL6370737

BrCCc1cc(I)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
FFAR1 O14842 1/20 0.45
APP P05067 4/20 0.44
CCR5 P51681 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
ABCB1 P08183 3/20 0.42
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HTT P42858 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
SCHEMBL1021663 0.88 CCR5 (0.48) HTR1ADRD2FFAR1APPCCR5
SCHEMBL27402118 0.83 CCR5 (0.60) HTR1ADRD2CCR5PTGER1USP28
SCHEMBL28020148 0.82 HTR1A (0.53) HTR1ADRD2FFAR1PTGER1ABCB1
SCHEMBL6213896 0.81 CCR5 (0.49) HTR1ADRD2FFAR1APPCCR5
SCHEMBL1023923 0.81 ELANE (0.53) HTR1ADRD2FFAR1APPCCR5
SCHEMBL23881745 0.80 HTR1A (0.73) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL31375355 0.79 APP (0.56) HTR1ADRD2FFAR1APPRAB9A
SCHEMBL11647126 0.79 APP (0.56) HTR1ADRD2FFAR1APPRAB9A
SCHEMBL17488405 0.78 RAB9A (0.56) FFAR1APPRAB9A
SCHEMBL28843836 0.77 FFAR1 (0.59) HTR1ADRD2FFAR1APP

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
CN-101090909-A Antibacterial amide macrocycles IV AICURIS GMBH & CO KG (DE) 2007-12-19 CN disclosed
CN-1326870-C Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-07-18 CN disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
CN-1675236-A Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2005-09-28 CN 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-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 HTR1A 4576/4885DRD2 3865/4885FFAR1 3481/4885

“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.