SCHEMBL6745379

SCHEMBL6745379

CC(C)(CO)CC1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.34
GNAI3 P08754 2/20 0.34
GNAI1 P63096 2/20 0.34
EP300 Q09472 3/20 0.33
CREBBP Q92793 1/20 0.33
GBA1 P04062 3/20 0.33
ALOX15 P16050 2/20 0.33
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL30670277 0.86 GBA1 (0.35) GNAO1GNAI3GNAI1GBA1ALOX15
SCHEMBL13706834 0.80 GNAO1 (0.36) GNAO1GNAI3GNAI1GBA1ALOX15
SCHEMBL4762513 0.79 THRA (0.38) GNAO1GNAI3GNAI1GBA1ALOX15
SCHEMBL14479846 0.78 GNAO1 (0.39) GNAO1GNAI3GNAI1GBA1TDP1
SCHEMBL1254581 0.77 GNAO1 (0.36) GNAO1GNAI3GNAI1GBA1ALOX15
SCHEMBL598402 0.77 CYP1A2 (0.39)
Hydrochloric Acid SCHEMBL31726084 0.77 GNAO1 (0.39) GNAO1GNAI3GNAI1GBA1ALOX15
Hydrochloric Acid SCHEMBL31438065 0.76 GNAO1 (0.39) GNAO1GNAI3GNAI1GBA1ALOX15
SCHEMBL22365165 0.75 GNAO1 (0.33) GNAO1GNAI3GNAI1
SCHEMBL23862428 0.74

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 GNAO1 3640/4885GNAI3 1415/4885GNAI1 994/4885

“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.