Sugi Predict

Sugi Predict / Compounds / SCHEMBL3011977

SCHEMBL3011977

SCHEMBL3011977

O=C1CCC2(C1)C(=O)c1ccccc1Cc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2A P28223 5/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2B P41595 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ CES1 P23141 2/20 0.36

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
SCHEMBL13004185 0.91 MEN1 (0.44) MAOAHRH1HTR2AHTR2CDRD2
SCHEMBL3001180 0.78 MAOA (0.47) MAOAHRH1HTR2AHTR2CDRD2
SCHEMBL3766701 0.76 HTR2A (0.54) MAOAHRH1HTR2AHTR2CDRD2
SCHEMBL3013232 0.72 HRH1 (0.57) MAOAHRH1HTR2AHTR2CDRD2
SCHEMBL13244502 0.72 HRH1 (0.52) MAOAHRH1HTR2AHTR2CDRD2
SCHEMBL3001572 0.70 HTR2A (0.49) HRH1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL30666454 0.69 KMT2A (0.57) MEN1CYP2C9KMT2ACES1TDP1
SCHEMBL5894829 0.69 KMT2A (0.57) MEN1CYP2C9KMT2ACES1TDP1
SCHEMBL23729942 0.68 TSHR (0.41) MAOAHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7887715 0.67 SIGMAR1 (0.54) HTR2AHTR2CDRD2MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 — — WO disclosed
WO-2009016084-A1 SPIRO CYCLOPENTANE COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1-RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 — — 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 (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-20100190764-A1 Novel compounds HCRTR1, HCRTR2, CNR1 MAOA 1499/4885HRH1 382/4885HTR2A 596/4885
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor HCRTR1, HCRTR2, HRH3 MAOA 888/4885HRH1 4/4885HTR2A 137/4885

“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.