SCHEMBL14018729

SCHEMBL14018729

CN1CCN=C(c2ccc(Cl)cc2)c2cc(Cl)ccc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.84
PDE4D Q08499 2/20 0.84
NR1I2 O75469 2/20 0.84
ADORA3 P0DMS8 2/20 0.84
HTR2C P28335 1/20 0.84
ADRA1A P35348 1/20 0.84
PTGS2 P35354 1/20 0.84
CHRNA4 P43681 1/20 0.84
SLC6A3 Q01959 1/20 0.84
LMNA P02545 3/20 0.59
GAA P10253 1/20 0.59
TSPO P30536 1/20 0.59
GABRA1 P14867 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRB1 P18505 2/20 0.50

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
SCHEMBL9472878 0.92 OPRK1 (0.76) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL29642025 0.92 OPRK1 (1.00) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL11658148 0.92 OPRK1 (1.00) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL18472 0.92 OPRK1 (1.00) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL78352 0.90 OPRK1 (0.97) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL3235774 0.90 OPRK1 (0.73) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL9472170 0.83 OPRK1 (0.75) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL11680057 0.83 OPRK1 (0.76) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2921949 0.81 OPRK1 (0.60) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL11682597 0.80 OPRK1 (0.67) OPRK1PDE4DNR1I2ADORA3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 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-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB OPRK1 2697/4885PDE4D 3936/4885NR1I2 2345/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB OPRK1 2697/4885PDE4D 3936/4885NR1I2 2345/4885

“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.