SCHEMBL6285831

SCHEMBL6285831

Cc1ccc(C(C)C)c(O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.48
GABRB1 P18505 4/20 0.48
LMNA P02545 3/20 0.48
GABRB2 P47870 3/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2B P41595 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PTGS1 P23219 2/20 0.48
TSHR P16473 2/20 0.48
FAAH O00519 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
GABRG2 P18507 1/20 0.48
HTR2C P28335 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL19972025 0.84 GABRA1 (0.54) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL1243033 0.82 GABRA1 (0.52) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL1494556 0.81 GABRA1 (0.56) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL6542243 0.79 POLB (0.42) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL366229 0.77 GABRA1 (0.52) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL3359993 0.76 POLB (0.48) LMNATSHRHPGDTRPA1POLB
SCHEMBL9556357 0.76 GABRA1 (0.50) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL30411767 0.76 GABRA1 (0.50) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL1487336 0.76 GABRA1 (0.50) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL2585105 0.75 GABRA1 (0.68) GABRA1GABRB1LMNAGABRB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0253340-B1 ALKYL-SUBSTITUTED BENZOXAZINORIFAMYCIN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTIBACTERIAL AGENT CONTAINING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed
CN-1018833-B Alkyl substituted benzoxazinorifamycin derivatives KANEGAFUCHI CHEMICAL IND (JP) 1992-10-28 CN disclosed
US-4859661-A Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
CN-87104870-A Benzoxazinnorifamyciderivative derivative, its preparation method that alkyl replaces and contain the antiseptic-germicide of this derivative 1988-02-17 CN disclosed
EP-0253340-A1 Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-20 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 GABRA1 3225/4885GABRB1 3084/4885LMNA 4085/4885

“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.