SCHEMBL3373129

SCHEMBL3373129

CCCCN(C)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.42
ADH1C P00326 4/20 0.42
CYP1A2 P05177 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADH4 P08319 1/20 0.35
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
DNM1 Q05193 1/20 0.33
NAAA Q02083 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
SCHEMBL5253542 0.98 ADH1A (0.44) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL14159145 0.98 ADH1A (0.44) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL13891185 0.98 ADH1A (0.39) ADH1AADH1CCYP1A2HRH4HRH3
Hydrochloric Acid SCHEMBL27846056 0.96 ADH1A (0.42) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL14546899 0.93 ADH1A (0.42) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL24437739 0.91 ADH1A (0.42) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL15375241 0.91 ADH1A (0.42) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL17351009 0.91 DNM1 (0.46) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL24437852 0.91 ADH1A (0.42) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL24437737 0.91 DNM1 (0.44) ADH1AADH1CCYP1A2HRH4HRH3

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
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 US disclosed
US-8894970-B2 Arginase inhibitors and methods of use thereof CORRIDOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140227183-A1 SMALL-MOLECULE HSP90 INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2014-08-14 US disclosed
US-20120171116-A1 Arginase Inhibitors and Methods of Use Thereof CORRIDOR PHARMACEUTICALS, INC. 2012-07-05 US disclosed
US-20110104054-A1 Small-Molecule HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-05 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-16 US 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 (5 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-20120171116-A1 Arginase Inhibitors and Methods of Use Thereof ARG1, ARG2, PRMT1 ADH1A 948/4885ADH1C 947/4885CYP1A2 493/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ADH1A 412/4885ADH1C 511/4885CYP1A2 1008/4885
US-20110104054-A1 Small-Molecule HSP90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ADH1A 3651/4885ADH1C 3950/4885CYP1A2 826/4885
US-20140227183-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 ADH1A 3680/4885ADH1C 3981/4885CYP1A2 1207/4885
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ADH1A 3751/4885ADH1C 3971/4885CYP1A2 1111/4885

“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.