SCHEMBL8322301

SCHEMBL8322301

CCCCCCCCN1CCC(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.66
GNAI3 P08754 7/20 0.66
GNAI1 P63096 7/20 0.66
SIGMAR1 Q99720 2/20 0.54
EBP Q15125 1/20 0.52
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 2/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT1 Q99873 1/20 0.50
PRMT8 Q9NR22 1/20 0.50

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
SCHEMBL8324109 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL8323548 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL8321113 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL8325801 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL8318619 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL26157407 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL2953638 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
SCHEMBL10442393 1.00 GNAO1 (0.66) GNAO1GNAI3GNAI1SIGMAR1EBP
Hydrochloric Acid SCHEMBL30330982 0.98 GNAO1 (0.69) GNAO1GNAI3GNAI1SIGMAR1EBP
Fluoride SCHEMBL30330675 0.98 GNAO1 (0.63) GNAO1GNAI3GNAI1SIGMAR1EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 WO disclosed
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
WO-2017197051-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
WO-2017197055-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
EP-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 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 (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-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 GNAO1 279/4885GNAI3 326/4885GNAI1 372/4885
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A1 GNAO1 279/4885GNAI3 326/4885GNAI1 372/4885

“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.