SCHEMBL5101482

SCHEMBL5101482

[c]1nc(-c2ccc3c(n2)CCCC3)cc2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PRNP P04156 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL29648993 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3310894 0.66 MEN1 (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31598494 0.65 MEN1 (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL23457512 0.65 HTR2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31494678 0.64 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4056257 0.64 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL10430601 0.64 ADRA2A (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL11641022 0.64 NPC1 (0.48) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3869454 0.64 KMT2A (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL28701448 0.64 CCNA2 (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
EP-1725526-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES Applied Research Systems ARS Holding N.V. (AN) 2006-11-29 EP disclosed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 US disclosed
WO-2005082848-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed
EP-1084119-B1 AROMATIC AMINE DERIVATIVES AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LTD (GB) 2004-09-08 EP 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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 ADRA2A 2953/4885ADRA2B 3293/4885ADRA2C 2716/4885

“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.