SCHEMBL4002689

SCHEMBL4002689

CC(C(=O)O)C1CNCCN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.32
CPB2 Q96IY4 2/20 0.32
TSHR P16473 2/20 0.32
SLC6A1 P30531 4/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL28400172 0.83
SCHEMBL29184811 0.82 KDM4E (0.33)
SCHEMBL10884873 0.82 TSHR (0.32) TSHRGABRA5GABRB2GABRA1GABRR1
SCHEMBL2793941 0.80 KDM4E (0.30)
SCHEMBL28735814 0.79 SLC6A3 (0.36) TSHRLMNA
SCHEMBL11119178 0.79
SCHEMBL28735789 0.77 SLC6A2 (0.39)
SCHEMBL3986419 0.76 CPN1 (0.39) CPN1CPB2TSHRSLC6A1SLC6A11
SCHEMBL21831618 0.75
SCHEMBL219820 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117222646-A KRAS G12C inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-12 CN disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
CN-101155784-A Cis-2,4,5-triaryl-imidazolines and their use as anti-cancer medicaments HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US disclosed
CN-1078968-A 2-Piperazinone compounds and their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-01 CN disclosed
CN-1069730-A 2-Piperazinone compounds and their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-03-10 CN 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-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C CPN1 2870/4885CPB2 2274/4885TSHR 2239/4885

“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.