SCHEMBL29445003

SCHEMBL29445003

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Pd-2]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 2/20 0.41
FAAH O00519 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL16267050 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29042594 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL21723903 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2243365 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL1821813 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28502131 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16655509 0.79 DPP4 (0.45) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22320712 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL30976692 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL25179558 0.78 DPP4 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161904-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF TOLVAPTAN AND ITS DERIVATIVES Cambrex Profarmaco Milano S.r.l. (IT) 2023-04-12 EP claimed
EP-4161904-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF TOLVAPTAN AND ITS DERIVATIVES Cambrex Profarmaco Milano S.r.l. (IT) 2023-04-12 EP disclosed
US-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one MSN LABORATORIES PRIVATE LIMITED (IN) 2022-03-22 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-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one CYP1B1, CYP4B1, CYP1A1 GABRA1 664/4885GABRG2 1330/4885GABRB3 1533/4885

“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.