SCHEMBL6025250

SCHEMBL6025250

Cc1ccc(N2CCC3(CCNCC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
HRH3 Q9Y5N1 6/20 0.46
HTR7 P34969 1/20 0.44
RORC P51449 1/20 0.42
POLB P06746 1/20 0.42
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
EGLN1 Q9GZT9 6/20 0.41
SOS1 Q07889 1/20 0.41
LIPE Q05469 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL22396051 0.84 HRH3 (0.43) HRH3RORCEGLN1LIPEITGB3
SCHEMBL12342523 0.84 HRH3 (0.45) HRH3RORCEGLN1SOS1LIPE
SCHEMBL3127570 0.84 USP2 (0.47) ADRB1HRH3RORCEGLN1
SCHEMBL14752026 0.84 POLB (0.51) HRH3POLBEGLN1LIPEITGB3
SCHEMBL6027715 0.84 HTR3E (0.50) ADRB1HRH3EGLN1LIPE
SCHEMBL743526 0.84 EGLN1 (0.55) HRH3RORCEGLN1LIPEITGB3
Hydrochloric Acid SCHEMBL2336913 0.83 HRH3 (0.44) HRH3RORCEGLN1SOS1LIPE
Hydrochloric Acid SCHEMBL2425459 0.83 USP2 (0.46) ADRB1HRH3RORCEGLN1
SCHEMBL16438694 0.82 KCNJ1 (0.48) HRH3RORCEGLN1SOS1LIPE
SCHEMBL21764939 0.82 USP2 (0.43) HRH3RORCPOLBEGLN1ITGB3

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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 US disclosed
EP-1716147-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF GLYCINE TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
WO-2005068462-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 ADRB1 195/4885HRH3 2168/4885HTR7 1882/4885

“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.