SCHEMBL3405798

SCHEMBL3405798

CCn1cc(C(O)C2CCNCC2)nc1-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2C P28335 7/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKD3 O94806 1/20 0.35
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL3399694 0.86 HTR2C (0.38) HTR2CKMT2AKDM4E
SCHEMBL3402517 0.85 SIGMAR1 (0.37) HTR2CKMT2AKDM4EOPRM1OPRD1
SCHEMBL3405325 0.75 HTR2C (0.36) HTR2CKDM4EFNTAFNTBOPRM1
SCHEMBL5549109 0.74 HTR4 (0.46) SLC6A2SLC6A4GABRA1PRKD3PRKD1
SCHEMBL3400855 0.71 GAA (0.35) HTR2CKDM4E
SCHEMBL5549113 0.70 HTR2C (0.41) HTR2CPRKD3PRKD1PRKD2KDM4E
SCHEMBL3399414 0.69 KDM4E (0.41) HTR2CKMT2AKDM4ENISCH
SCHEMBL11363222 0.68 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3GABRA1GABRG2
Hydrochloric Acid SCHEMBL11351739 0.67 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GABRA1GABRG2
SCHEMBL10500577 0.67 HTT (0.36) SLC6A2SLC6A4SLC6A3HTR2CSMYD3

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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 SLC6A2 499/4885SLC6A4 554/4885SLC6A3 452/4885

“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.