SCHEMBL2706290

SCHEMBL2706290

CC(c1ccccc1P(C(C)(C)C)C(C)(C)C)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ACHE P22303 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
SCHEMBL31479934 1.00 CRHBP (0.44) CRHBPCRHR2MEN1MAPTKMT2A
SCHEMBL15275536 0.80 GABRA1 (0.41) MAPTKMT2ALMNA
SCHEMBL12786256 0.77 MEN1 (0.44) CRHBPCRHR2MEN1MAPTKMT2A
SCHEMBL6395417 0.76
SCHEMBL2850698 0.75 SLC6A2 (0.30)
SCHEMBL1315082 0.72 MAPK1 (0.32) ACHE
SCHEMBL30480018 0.72 MAPK1 (0.32) ACHE
SCHEMBL4008294 0.70 CA1 (0.37) LMNA
SCHEMBL2852138 0.70 TAAR1 (0.39) HTR2ASLC6A4
SCHEMBL6733419 0.68 MAPT (0.38) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233961-B9 METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION MERCK PATENT GMBH (DE) 2012-03-21 EP disclosed
EP-1233961-B1 METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION MERCK PATENT GMBH (DE) 2005-07-06 EP disclosed
US-6762300-B2 ONE POT; SUCH AS CYCLIZATION OF 5-BROMOSALICYLALDEHYDE WITH ETHYL BROMOACETATE AND REACTING WITH FORMAMIDE THEN WITH PIPERAZINE DERIVATIVE MERCK PATENT GMBH (DE) 2004-07-13 US disclosed
US-20030125558-A1 Method for producing 5-(1-piperazinyl) -benzofuran-2-carboxamide by transition metal-catalyzed amination MERCK PATENT GMBH (DE) 2003-07-03 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-20030125558-A1 Method for producing 5-(1-piperazinyl) -benzofuran-2-carboxamide by transition metal-catalyzed amination PARP15, TPMT, TPH2 CRHBP 2781/4885CRHR2 1489/4885MEN1 2538/4885

“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.