SCHEMBL5360716

SCHEMBL5360716

CNNc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.44
IDO1 P14902 2/20 0.44
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
MMP2 P08253 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 1/20 0.43
DEPTOR Q8TB45 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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 SCHEMBL1807762 0.98 RAPGEF4 (0.47) RAPGEF4MEN1KMT2AGAAMAPT
SCHEMBL29909163 0.81
SCHEMBL306546 0.81
Hydrochloric Acid SCHEMBL6465685 0.79 RAPGEF4 (0.50) RAPGEF4MEN1KMT2AGAAMAPT
SCHEMBL2478920 0.79 MEN1 (0.48) RAPGEF4MEN1KMT2AGAAMAPT
SCHEMBL5113271 0.79 MEN1 (0.59) RAPGEF4MEN1KMT2AGAAMAPT
SCHEMBL15806544 0.77 DEPTOR (0.47) RAPGEF4MEN1KMT2AGAAMAPT
SCHEMBL22968438 0.77 MEN1 (0.47) RAPGEF4MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL1408626 0.77 MEN1 (0.47) RAPGEF4MEN1KMT2AGAAMAPT
SCHEMBL16416590 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (3 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR RAPGEF4 2845/4885MEN1 646/4885KMT2A 1434/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 RAPGEF4 3065/4885MEN1 901/4885KMT2A 2365/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR RAPGEF4 2845/4885MEN1 646/4885KMT2A 1434/4885

“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.