SCHEMBL2706321

SCHEMBL2706321

O=Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.59
DRD2 P14416 2/20 0.59
DRD3 P35462 1/20 0.59
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
HTR7 P34969 3/20 0.47
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7569578 0.85 DRD4 (0.56) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL12675300 0.81 DRD4 (0.52) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL1647156 0.78 DRD4 (0.50) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL4392263 0.77 DRD4 (0.70) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL2597773 0.76 DRD4 (0.72) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL2876563 0.75 DRD4 (1.00) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL3134694 0.75 ALDH1A1 (0.63) DRD4DRD2DRD3ALDH1A1TSHR
SCHEMBL6773141 0.75 MAPT (0.52) DRD4DRD2DRD3HTR2AHTR2C
SCHEMBL418557 0.75 DRD4 (0.57) DRD4DRD2DRD3SIGMAR1HTR7
SCHEMBL13902706 0.75 DRD2 (1.00) DRD4DRD2DRD3HTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-03 US disclosed
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base DR. REDDY'S LABORATORIES LIMITED (IN) 2018-07-03 US disclosed
US-20170217939-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2017-08-03 US disclosed
US-20150126525-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE REDDYS LAB LTD DR (IN) 2015-05-07 US disclosed
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-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
EP-1233961-A2 METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION MERCK PATENT GmbH (DE) 2002-08-28 EP disclosed
WO-2001040219-A2 METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION MERCK PATENT GMBH (DE) 2001-06-07 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 (5 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-20150126525-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL DRD4 258/4885DRD2 1013/4885DRD3 826/4885
US-20170217939-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL DRD4 391/4885DRD2 1290/4885DRD3 955/4885
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base VIL1, VMA21, PYGL DRD4 391/4885DRD2 1290/4885DRD3 955/4885
US-20030125558-A1 Method for producing 5-(1-piperazinyl) -benzofuran-2-carboxamide by transition metal-catalyzed amination PARP15, TPMT, TPH2 DRD4 1169/4885DRD2 740/4885DRD3 1238/4885
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL DRD4 391/4885DRD2 1290/4885DRD3 955/4885

“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.