SCHEMBL13912964

SCHEMBL13912964

CC(C)(C)CCNC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.41
SSTR3 P32745 1/20 0.39
KDM4E B2RXH2 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CXCR4 P61073 2/20 0.36
CXCL12 P48061 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.35
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
DPP4 P27487 1/20 0.34
CYP2C9 P11712 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL3645463 0.98 RAD52 (0.44) RAD52SSTR3KDM4ECYP1A2CYP2D6
SCHEMBL12156771 0.95 RAD52 (0.37) RAD52SSTR3KDM4ECYP1A2CYP2D6
SCHEMBL803995 0.90 GNAI3 (0.36) RAD52SSTR3ALDH1A1MEN1KMT2A
SCHEMBL19669278 0.86 KDM4E (0.42) RAD52KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL2632339 0.85 CXCR4 (0.44) RAD52KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL13602652 0.83 CXCR4 (0.43) RAD52KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL7893718 0.82 GNAI3 (0.53) RAD52SSTR3EPHX1GNAI3GNAO1
SCHEMBL28831909 0.82 RAD52 (0.39) RAD52KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3076201 0.81 SSTR3 (0.53) SSTR3KDM4EALDH1A1DPP4SIGMAR1
SCHEMBL1639849 0.81 SSTR3 (0.53) SSTR3KDM4EALDH1A1DPP4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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 (4 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-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 RAD52 1717/4885SSTR3 3688/4885KDM4E 705/4885
US-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS RAD52 4103/4885SSTR3 446/4885KDM4E 1022/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 RAD52 1717/4885SSTR3 3688/4885KDM4E 705/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 RAD52 4505/4885SSTR3 1391/4885KDM4E 1800/4885

“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.