SCHEMBL21949396

SCHEMBL21949396

Nc1ccc(C2(O)CCC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.38
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
NNMT P40261 1/20 0.37

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
SCHEMBL23361675 0.96 NOS3 (0.38) ALOX5APNOS3NOS2GABRPGABRD
SCHEMBL17298724 0.92 NOS3 (0.40) ALOX5APNOS3NOS2GABRPGABRD
SCHEMBL17055342 0.84 OGA (0.40) ALOX5APNOS3NOS2GABRPGABRD
SCHEMBL13543769 0.81 PIK3CA (0.42) NOS3NOS2KDM4EPIK3CAMTOR
SCHEMBL30434221 0.79 GABRA5 (0.40) ALOX5APNOS3NOS2GABRPGABRD
SCHEMBL21033714 0.79 GABRA5 (0.40) ALOX5APNOS3NOS2GABRPGABRD
SCHEMBL21848271 0.77 DRD2 (0.39) ALOX5APHRH3
SCHEMBL18929479 0.74 ESR1 (0.38) HRH3OGA
SCHEMBL1738687 0.73 OGA (0.36) HRH3HDAC6OGA
SCHEMBL1959786 0.73 TRPA1 (0.41) HRH3OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640247-B1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-11091460-B2 Syk inhibitor and use method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-08-17 US disclosed
US-20200199101-A1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-06-25 US disclosed
EP-3640247-A1 SYK INHIBITOR AND USE METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-04-22 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 (2 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-11091460-B2 Syk inhibitor and use method therefor SYK, BTK, LCK ALOX5AP 806/4885NOS3 1235/4885NOS2 793/4885
US-20200199101-A1 SYK INHIBITOR AND USE METHOD THEREFOR SYK, BTK, LCK ALOX5AP 806/4885NOS3 1235/4885NOS2 793/4885

“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.