SCHEMBL18699541

SCHEMBL18699541

CC(C)(C)Sc1cccc(N2CCN(Cc3ccccc3)CC2)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 5/20 0.48
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 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
SCHEMBL18699520 0.84 DRD4 (0.46) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL18699453 0.83 DRD4 (0.47) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL7426690 0.79 DRD4 (0.68) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL18699457 0.78 HTR1A (0.45) DRD2DRD4DRD3HTR6
SCHEMBL8550773 0.78 DRD4 (0.55) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL418557 0.76 DRD4 (0.57) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL18699623 0.74 ALDH1A1 (0.46) MAPTALDH1A1
SCHEMBL24353158 0.73 DRD4 (0.52) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL13216752 0.70 DRD4 (0.57) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL9952352 0.70 MEN1 (0.38) TDP1L3MBTL1ALDH1A1ATM

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
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

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 DRD2 1035/4885DRD4 413/4885DRD3 1031/4885
US-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CYP4X1, CYP2B6, CYP2C19 DRD2 1035/4885DRD4 413/4885DRD3 1031/4885
US-11312708-B2 Process and intermediates for the preparation of benzo[b]thiophene compounds CYP4X1, CYP2B6, CYP2C19 DRD2 1035/4885DRD4 413/4885DRD3 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.