SCHEMBL4239603

SCHEMBL4239603

O=CCCn1ccc2cccnc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
DAO P14920 1/20 0.52
P2RX7 Q99572 1/20 0.45
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.41
SLC22A12 Q96S37 6/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ENPP1 P22413 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL113790 0.83 MTNR1A (0.51) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL30159029 0.78 MTNR1A (0.50) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL5779450 0.78 MTNR1A (0.60) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL8135642 0.78 MTNR1A (0.56) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL7771626 0.78 MTNR1A (0.60) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL8827650 0.78 MTNR1A (0.56) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL8134945 0.78 MTNR1A (0.56) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL9039466 0.77 MTNR1A (0.55) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL2127227 0.76 MTNR1A (0.62) MTNR1ADAOP2RX7PARP1CYP2C19
SCHEMBL30462513 0.75 MTNR1A (0.57) MTNR1ADAOP2RX7PARP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20090170790-A1 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-02 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (4 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 MTNR1A 1447/4885DAO 4429/4885P2RX7 3979/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MTNR1A 1447/4885DAO 4429/4885P2RX7 3979/4885
US-20090170790-A1 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS MGAM, HEXA, MGAM2 MTNR1A 1628/4885DAO 3674/4885P2RX7 3647/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MTNR1A 1392/4885DAO 4211/4885P2RX7 4358/4885

“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.