SCHEMBL7426690

SCHEMBL7426690

O=Cc1c(Cl)cccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.68
DRD2 P14416 5/20 0.68
DRD3 P35462 5/20 0.68
HTR7 P34969 1/20 0.55
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PLA2G1B P04054 1/20 0.52
RAB9A P51151 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
HTR6 P50406 1/20 0.49

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
SCHEMBL8550773 0.85 DRD4 (0.55) DRD4DRD2DRD3MAPTNPSR1
SCHEMBL6864941 0.83 DRD4 (0.81) DRD4DRD2DRD3HTR7KDM4E
SCHEMBL844542 0.83 DRD2 (0.51) DRD4DRD2DRD3TDP1KDM4E
SCHEMBL17996843 0.81 ALDH1A1 (0.50) DRD4DRD2DRD3TDP1KDM4E
SCHEMBL5854967 0.80 SLC6A2 (0.56) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL418557 0.80 DRD4 (0.57) DRD4DRD2DRD3HTR7MAPT
SCHEMBL18699541 0.79 DRD2 (0.48) DRD4DRD2DRD3MAPTNPSR1
SCHEMBL10713747 0.79 ALDH1A1 (0.55) DRD2DRD3MAPTTDP1L3MBTL1
SCHEMBL18699453 0.78 DRD4 (0.47) DRD4DRD2DRD3MAPTNPSR1
SCHEMBL22092310 0.78 DRD2 (0.63) DRD4DRD2DRD3MAPTTDP1

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-11312708-B2 Process and intermediates for the preparation of benzo[b]thiophene compounds CRYSTAL PHARMA, S.A.U. (ES) 2022-04-26 US disclosed
US-20200172523-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CURIA SPAIN, S.A.U. (ES) 2020-06-04 US disclosed
US-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CURIA SPAIN, S.A.U. (ES) 2019-02-07 US disclosed
EP-3150591-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS Crystal Pharma S.A.U (ES) 2017-04-05 EP disclosed
WO-1997044334-A2 NOVEL PIPERAZINE OR HOMOPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THEIR PREPARATION EGIS Gyógyszergyár Rt. (HU) 1997-11-27 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-20200172523-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CYP4X1, CYP2B6, CYP2C19 DRD4 413/4885DRD2 1035/4885DRD3 1031/4885
US-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CYP4X1, CYP2B6, CYP2C19 DRD4 413/4885DRD2 1035/4885DRD3 1031/4885
US-11312708-B2 Process and intermediates for the preparation of benzo[b]thiophene compounds CYP4X1, CYP2B6, CYP2C19 DRD4 413/4885DRD2 1035/4885DRD3 1031/4885

“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.