SCHEMBL22330657

SCHEMBL22330657

CC(C)Cc1ccn2ccc(CC(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PTGS1 P23219 3/20 0.30
▸ PTGS2 P35354 3/20 0.30
▸ LMNA P02545 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ AKR1C3 P42330 2/20 0.30
▸ CXCR1 P25024 2/20 0.30
▸ CXCR2 P25025 2/20 0.30
▸ ALB P02768 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL21036858 0.76 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2APTGS2
SCHEMBL23665220 0.73 GABRA1 (0.34) GABRA1GABRB2POLB
SCHEMBL18712039 0.68 KEAP1 (0.41) GABRA1GABRB2POLB
SCHEMBL21037102 0.67 TBXAS1 (0.50) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL18711999 0.67 MAPK1 (0.36) GABRA1GABRB2CYP2C9
SCHEMBL17229324 0.66 BRD4 (0.51) POLBLMNATSHR
SCHEMBL14518822 0.66 CYP2A6 (0.46) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL28045529 0.64 GABRA1 (0.51) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL5053439 0.64 GABRA1 (0.62) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL17877179 0.64 GABRA1 (0.39) GABRA1GABRB2MEN1POLBMAPT

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
US-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 — — US disclosed
US-11021471-B2 Antibacterial compounds FORGE THERAPEUTICS, INC. (US) 2021-06-01 — — US disclosed
US-20200255413-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2020-08-13 — — 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 (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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC GABRA1 3647/4885GABRB2 2626/4885MEN1 4365/4885
US-20200255413-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC GABRA1 3647/4885GABRB2 2626/4885MEN1 4365/4885
US-11021471-B2 Antibacterial compounds SPOUT1, MRPL21, NRDC GABRA1 3647/4885GABRB2 2626/4885MEN1 4365/4885

“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.

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