SCHEMBL9253898

SCHEMBL9253898

O=C(C1CCCCC1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
GABRA4 P48169 1/20 0.54
GABRE P78334 1/20 0.54
PMP22 Q01453 1/20 0.54
GABRA6 Q16445 1/20 0.54
GABRG1 Q8N1C3 1/20 0.54
GABRG3 Q99928 1/20 0.54
GABRQ Q9UN88 1/20 0.54
EPHX1 P07099 2/20 0.48
CES2 O00748 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
SCHEMBL11126760 0.97 TSHR (0.56) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3709913 0.90 TSHR (0.54) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3774341 0.89 TSHR (0.65) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL2146157 0.89 SLC6A1 (0.52) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL2146162 0.89 SLC6A1 (0.52) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL12862907 0.88 TSHR (0.52) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL27508984 0.87 TSHR (0.62) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL27430608 0.87 TSHR (0.62) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1484884 0.87 TSHR (0.62) TSHRGABRPGABRDGABRA1GABRB1
Bromide SCHEMBL27312283 0.87 TSHR (0.62) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 CN disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 CN 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-20140011862-A1 Compositions and Methods for Treating Leukemia MCL1, ABL1, FLT3 TSHR 4763/4885GABRP 4644/4885GABRD 4546/4885

“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.