SCHEMBL3322020

SCHEMBL3322020

NC(=O)N(S)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
TSHR P16473 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
NOS2 P35228 1/20 0.37
EPHX1 P07099 2/20 0.35

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
SCHEMBL1473977 0.84
SCHEMBL1475937 0.79 ALOX5 (0.40) EPHX1ALOX5
SCHEMBL3557381 0.77 ALOX5 (0.42) EPHX1ALOX5
SCHEMBL4197278 0.77 GABRA1 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL1605450 0.77 ALOX5 (0.42) EPHX1ALOX5
SCHEMBL27459920 0.76 TSHR (0.39) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL27571022 0.76 GABRA1 (0.39) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL14141220 0.74 GABRA1 (0.38) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL27624686 0.71 SLC6A4 (0.42) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL3901133 0.70 SLC6A2 (0.41) GABRA1GABRA5GABRB2GABRA4KDM4E

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
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 US disclosed
EP-2148879-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128996-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO 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-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS GRIN2A, DRD2, GRIN2C GABRA1 11/4885TSHR 45/4885GABRG2 67/4885

“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.