SCHEMBL708881

SCHEMBL708881

CON=C1CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.41
▸ GABRD O14764 3/20 0.41
▸ GABRA1 P14867 3/20 0.41
▸ GABRB1 P18505 3/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ GABRA4 P48169 3/20 0.41
▸ GABRE P78334 3/20 0.41
▸ GABRA6 Q16445 3/20 0.41
▸ GABRG1 Q8N1C3 3/20 0.41
▸ GABRG3 Q99928 3/20 0.41
▸ GABRQ Q9UN88 3/20 0.41
▸ CYP1A2 P05177 1/20 0.36
▸ GABRR1 P24046 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ PMP22 Q01453 1/20 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
Hydrochloric Acid SCHEMBL6819993 0.74 SMN1; SMN2 (0.35) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL11260907 0.74 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2043023 0.72 CYP1A2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23798668 0.68 BTK (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15150879 0.67 CHRM2 (0.35) —
SCHEMBL7892131 0.67 — —
SCHEMBL10713526 0.67 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Methoxymethane SCHEMBL29012225 0.66 TSHR (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6126 0.66 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27041262 0.66 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124613-B2 Spirotropane compounds VIROCHEM PHARMA INC. (CA) 2012-02-28 — — US disclosed
US-20110105546-A1 SPIROTROPANE COMPOUNDS VIROCHEM PHARMA INC. (CA) 2011-05-05 — — US 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-20110105546-A1 SPIROTROPANE COMPOUNDS CCR5, CXCR1, CXCR2 GABRP 2616/4885GABRD 2800/4885GABRA1 1449/4885

“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.

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