SCHEMBL112600

SCHEMBL112600

CCCCOC(=O)N1CCCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
SIGMAR1 Q99720 2/20 0.42
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GBA2 Q9HCG7 1/20 0.36

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
SCHEMBL5820669 0.94 POLB (0.63) SMN1; SMN2LMNAPOLBSIGMAR1CA2
SCHEMBL17017 0.94 POLB (0.63) SMN1; SMN2LMNAPOLBSIGMAR1CA2
SCHEMBL18760256 0.94 POLB (0.63) SMN1; SMN2LMNAPOLBSIGMAR1CA2
Potassium SCHEMBL30906131 0.92 POLB (0.61) SMN1; SMN2LMNAPOLBSIGMAR1CA2
SCHEMBL4082478 0.92 POLB (0.61) SMN1; SMN2LMNAPOLBSIGMAR1CA2
Hydrochloric Acid SCHEMBL1111003 0.92 POLB (0.61) SMN1; SMN2LMNAPOLBSIGMAR1CA2
SCHEMBL22407731 0.90 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBSIGMAR1CA2
Hydrochloric Acid SCHEMBL22407717 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBSIGMAR1CA2
SCHEMBL5667296 0.89 LMNA (0.57) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL25424462 0.87 LMNA (0.55) SMN1; SMN2LMNAPOLBGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802235-B2 Drug and imaging agent delivery compositions and methods UNIVERSITY OF KANSAS (US) 2014-08-12 US disclosed
WO-2013109907-A1 DRUG AND IMAGING AGENT DELIVERY COMPOSITIONS AND METHODS UNIVERSITY OF KANSAS (US) 2013-07-25 WO disclosed
US-20130189519-A1 Drug and Imaging Agent Delivery Compositions and Methods UNIVERSITY OF KANSAS (US) 2013-07-25 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO disclosed
EP-1023285-A1 AZETIDINYLPROPYLPIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999001451-A1 AZETIDINYLPROPYLPIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1999-01-14 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 (2 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 SMN1; SMN2 3941/4885LMNA 4233/4885POLB 1030/4885
US-20130189519-A1 Drug and Imaging Agent Delivery Compositions and Methods STARD10, STARD7, CASP10 SMN1; SMN2 4489/4885LMNA 3144/4885POLB 973/4885

“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.