SCHEMBL5898616

SCHEMBL5898616

CCCCCCCCNC(=O)[C@@H]1CCCCCN1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.89
NAAA Q02083 1/20 0.63
GNAI3 P08754 1/20 0.55
GNAO1 P09471 1/20 0.55
GNAI1 P63096 1/20 0.55
TLR2 O60603 2/20 0.54
EPHX1 P07099 9/20 0.52
EPHX2 P34913 2/20 0.52

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
SCHEMBL5898615 0.98 PRCP (0.91) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL3231149 0.97 PRCP (0.88) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL2792169 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL5898619 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL7955918 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL9825221 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL16618490 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL11842693 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
SCHEMBL2983853 0.94 PRCP (1.00) PRCPNAAAGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL7769069 0.93 PRCP (0.97) PRCPNAAAGNAI3GNAO1GNAI1

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-20060165648-A1 Compounds, compositions, and methods for controlling biofilms DEGENHARDT CHARLES R 2006-07-27 US disclosed
US-7018642-B2 Compounds, compositions, and methods for controlling biofilms THE PROCTER & GAMBLE COMPANY (US) 2006-03-28 US disclosed
US-20030105072-A1 Compounds, compositions, and methods for controlling biofilms THE PROCTER & GAMBLE COMPANY 2003-06-05 US 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 (2 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-20060165648-A1 Compounds, compositions, and methods for controlling biofilms BMP2, BMP1, BMP4 PRCP 3054/4885NAAA 105/4885GNAI3 2675/4885
US-20030105072-A1 Compounds, compositions, and methods for controlling biofilms BMP2, BMP1, BMP4 PRCP 3054/4885NAAA 105/4885GNAI3 2675/4885

“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.