SCHEMBL3397657

SCHEMBL3397657

Clc1cccc(C2CCN(Cl)CC2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
GRM2 Q14416 3/20 0.43
DRD2 P14416 7/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR1A P08908 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.37
NOTUM Q6P988 1/20 0.36
DRD3 P35462 2/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL10297983 0.85 TP53 (0.47) GRM2HTR1AMEN1KMT2A
SCHEMBL1273995 0.84 HTR2A (0.48) IDO1GRM2DRD2HTR2AHTR2C
SCHEMBL3773284 0.84 DRD2 (0.50) IDO1GRM2DRD2HTR2AHTR2C
SCHEMBL3759931 0.80 DRD2 (0.48) IDO1GRM2DRD2HTR2AHTR2C
SCHEMBL24069104 0.79 CEL (0.46) IDO1GRM2HTR2AHTR2CHTR2B
SCHEMBL126651 0.79 CEL (0.46) IDO1GRM2HTR2AHTR2CHTR2B
SCHEMBL1821970 0.77 IDO1 (0.43) IDO1GRM2DRD2HTR2AHTR2C
SCHEMBL1822196 0.77 KDM4E (0.47) GRM2DRD2HTR2AHTR2CHTR2B
SCHEMBL3774918 0.77 DRD2 (0.61) DRD2HTR2AHTR2CHTR2BHTR1A
SCHEMBL3759932 0.76 ADRA2A (0.54) IDO1GRM2DRD2HTR2AHTR2C

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-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 IDO1 2002/4885GRM2 11/4885DRD2 1/4885

“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.