SCHEMBL13786368

SCHEMBL13786368

COc1ccc(F)c2c1N(C)CCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ PARP1 P09874 4/20 0.34
▸ TNKS O95271 2/20 0.34
▸ TNKS2 Q9H2K2 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL31741626 0.73 ADRA1A (0.49) ADRA1AKDM4EHTR2CHTR2B
SCHEMBL9373065 0.71 SLC6A4 (0.69) ADRA1AHTR1AHTR2B
SCHEMBL9373062 0.71 SLC6A4 (0.69) ADRA1AHTR1AHTR2B
SCHEMBL14852694 0.70 HTR2C (0.50) HTR1AHTR2CHTR2BDRD2DRD1
SCHEMBL12809653 0.67 ALDH1A1 (0.53) PARP1TNKSTNKS2KDM4EDRD2
SCHEMBL26618698 0.67 NOTUM (0.53) HTR2CHTR2BDRD2DRD1DRD4
SCHEMBL20562648 0.66 KDM4E (0.36) ADRA1AKDM4ETSHRHTR2CHTR2B
SCHEMBL23601176 0.66 NOTUM (0.50) PARP1TNKSTNKS2KDM4EDRD2
SCHEMBL25963842 0.66 HTR2C (0.41) PARP1TNKSTNKS2HTR2CHTR2B
SCHEMBL14430372 0.66 KDM4E (0.59) KDM4ETSHRLMNAMAPK1HTT

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
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 — — EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 — — EP disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 — — US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 — — US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 — — US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 — — 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 (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-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 ADRA1A 4487/4885HTR1A 4218/4885PARP1 2005/4885

“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.

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