SCHEMBL24719092

SCHEMBL24719092

C[C@@H]1CN(c2cccc(Cl)c2Cl)CCN1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.61
DRD3 P35462 11/20 0.61
ADRB1 P08588 2/20 0.61
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
BIRC2 Q13490 1/20 0.44
DRD4 P21917 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR3A P46098 1/20 0.43
BCL2A1 Q16548 2/20 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
SCHEMBL24719093 1.00 DRD2 (0.61) DRD2DRD3ADRB1NOTUMALDH1A1
SCHEMBL30890968 1.00 DRD2 (0.61) DRD2DRD3ADRB1NOTUMALDH1A1
SCHEMBL6812356 0.85 ALDH1A1 (0.49) DRD2DRD3ADRB1NOTUMALDH1A1
SCHEMBL8511 0.76 DRD2 (1.00) DRD2DRD3ADRB1ALDH1A1LMNA
SCHEMBL6352699 0.76 DRD2 (1.00) DRD2DRD3ADRB1ALDH1A1LMNA
SCHEMBL29367982 0.76 DRD2 (1.00) DRD2DRD3ADRB1ALDH1A1LMNA
SCHEMBL1904488 0.76 ALDH1A1 (0.63) NOTUMALDH1A1LMNABIRC2HTR2C
SCHEMBL1901041 0.76 ALDH1A1 (0.63) NOTUMALDH1A1LMNABIRC2HTR2C
SCHEMBL1901039 0.76 ALDH1A1 (0.63) NOTUMALDH1A1LMNABIRC2HTR2C
SCHEMBL12164853 0.76 ADRB1 (0.63) ADRB1ALDH1A1LMNAHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
EP-4056568-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-14 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 (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-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 DRD2 1191/4885DRD3 1822/4885ADRB1 206/4885

“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.