SCHEMBL968179

SCHEMBL968179

c1cc2nc3c(cn2n1)CCNC3

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.42
HTR2B P41595 13/20 0.41
HTR2A P28223 12/20 0.41
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 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
Hydrochloric Acid SCHEMBL967326 0.98 HTR2C (0.41) HTR2CHTR2BHTR2APNMTCD44
SCHEMBL2571507 0.89 HTR2C (0.45) HTR2CHTR2BHTR2APOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL967950 0.87 HTR2C (0.37) HTR2CHTR2BHTR2AHTR6
SCHEMBL2406607 0.77 HTR2B (0.36) HTR2CHTR2BHTR2AHTR6
SCHEMBL970312 0.67 NOTUM (0.34) SMN1; SMN2
SCHEMBL8566538 0.67
SCHEMBL18074762 0.65 HTR2C (0.46) HTR2CHTR2BHTR2APOLBSMN1; SMN2
SCHEMBL16220547 0.64 HTR2C (0.46) HTR2CPNMTCD44MAOB
SCHEMBL588622 0.64 PNMT (0.52) HTR2CHTR2BHTR2APNMTCD44
SCHEMBL16379676 0.64 HTR2C (0.39) HTR2CHTR2BPNMTCD44MAOB

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
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
EP-2162451-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2010-03-17 EP disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 WO disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HTR2C 90/4885HTR2B 79/4885HTR2A 108/4885

“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.