SCHEMBL2634014

SCHEMBL2634014

CN1CCN(CCc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
EBP Q15125 1/20 0.56
KCNH2 Q12809 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DHCR7 Q9UBM7 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KCNJ1 P48048 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4237286 0.89 SIGMAR1 (0.55) SIGMAR1EBPKCNH2MEN1KMT2A
SCHEMBL10902405 0.88 MEN1 (0.67) SIGMAR1EBPKCNH2MEN1KMT2A
SCHEMBL5858631 0.87 SIGMAR1 (0.51) SIGMAR1KCNH2MEN1KMT2ACYP1A2
SCHEMBL7772142 0.86 SLC6A3 (0.61) SIGMAR1EBPKCNH2MEN1KMT2A
SCHEMBL4699834 0.85 SIGMAR1 (0.50) SIGMAR1KCNH2MEN1KMT2ACYP1A2
SCHEMBL9610820 0.85 EBP (0.55) SIGMAR1EBPKCNH2MEN1KMT2A
SCHEMBL2741683 0.85 HRH3 (0.62) SIGMAR1EBPKCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL7447525 0.85 SLC6A3 (0.59) SIGMAR1EBPKCNH2MEN1KMT2A
SCHEMBL7031548 0.85 HRH3 (0.62) SIGMAR1EBPKCNH2MEN1KMT2A
SCHEMBL65179 0.85 HDAC6 (0.69) KCNH2MEN1KMT2AHDAC6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008354-A Protein kinase inhibitors ORIBASE PHARMA 2015-10-28 CN disclosed
CN-103342701-A 2-Aminothiazole compound polycrystalline type as kinase inhibitors and preparation method thereof AB SCIENCE 2013-10-09 CN disclosed
CN-101657446-B Method for synthesizing 2-aminothiazole compounds as kinase inhibitors AB SCIENCE 2013-05-15 CN disclosed
US-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF SHANGHAI PARLING PHARMATECH CO., LTD. (CN) 2011-12-15 US disclosed
CN-101657446-A Method for synthesizing 2-aminothiazole compounds as kinase inhibitors SCIENCE FR AB 2010-02-24 CN disclosed
CN-100347162-C N-phenyl-2-pyrimidinamine derivatives NOVARTIS AG (CH) 2007-11-07 CN disclosed
CN-101016262-A N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2007-08-15 CN disclosed
CN-1630648-A N-phenyl-2-pyrimidinamine derivatives NOVARTIS AG (CH) 2005-06-22 CN disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 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-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ABL1, JAK2, ABL2 SIGMAR1 2016/4885EBP 4217/4885KCNH2 1284/4885

“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.