SCHEMBL10080978

SCHEMBL10080978

CCN1CCC2CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.39
GNAO1 P09471 4/20 0.39
GNAI1 P63096 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.34
HSD11B1 P28845 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL13751143 0.95 SMN1; SMN2 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL19117547 0.91 HTR7 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL17545829 0.91 HTR7 (0.37) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL8369139 0.91 HTR7 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL13848547 0.91 HTR7 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL13848576 0.91 HTR7 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL17547032 0.91 HTR7 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL22302351 0.90 SMN1; SMN2 (0.39) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL13179113 0.89 GNAI3 (0.34) GNAI3GNAO1GNAI1SMN1; SMN2HRH3
SCHEMBL22819552 0.87 SMN1; SMN2 (0.48) GNAI3GNAO1GNAI1SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066371-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-04-27 WO disclosed
US-20210147445-A1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-05-20 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
WO-2008066874-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2008-06-05 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 (3 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-20210147445-A1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR NADK, NTRK3, TNNI3K GNAI3 586/4885GNAO1 1125/4885GNAI1 511/4885
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L GNAI3 529/4885GNAO1 642/4885GNAI1 760/4885
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK GNAI3 1575/4885GNAO1 2963/4885GNAI1 1277/4885

“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.