SCHEMBL9286378

SCHEMBL9286378

CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
HTR1A P08908 6/20 0.57
DRD2 P14416 5/20 0.57
HTR2A P28223 4/20 0.57
DRD3 P35462 4/20 0.56
DRD1 P21728 3/20 0.56
DRD5 P21918 2/20 0.56
HRH3 Q9Y5N1 7/20 0.56

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
SCHEMBL20835002 0.93 HTR1A (0.58) LMNAHTR1ADRD2HTR2ADRD3
SCHEMBL26493117 0.93 HTR1A (0.58) LMNAHTR1ADRD2HTR2ADRD3
SCHEMBL9535253 0.93 HTR1A (0.58) LMNAHTR1ADRD2HTR2ADRD3
SCHEMBL3910170 0.89 LMNA (0.57) LMNAMAPTHTR1ADRD2HTR2A
SCHEMBL26108581 0.87 HTR1A (0.65) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL26492991 0.87 HTR1A (0.65) HTR1ADRD2HTR2ADRD3DRD1
Pyrazole SCHEMBL9739326 0.86 HRH3 (0.48) LMNATP53MAPTHTR1ADRD2
Hydrochloric Acid SCHEMBL26108377 0.85 DRD2 (0.63) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7656340 0.84 CYP2D6 (0.59) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL1254644 0.84 HTR1A (0.57) HTR1ADRD2HTR2ADRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012050884-A2 CARDIAC GLYCOSIDES ARE POTENT INHIBITORS OF INTERFERON-BETA GENE EXPRESSION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-04-19 WO claimed
EP-3411040-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION President and Fellows of Harvard College (US) 2018-12-12 EP disclosed
EP-3332645-A1 USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS Bayer Cropscience AG (DE) 2018-06-13 EP disclosed
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
WO-2017136480-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-10 WO disclosed
US-9549983-B2 Amine cationic lipids and uses thereof DICERNA PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
EP-2646107-A2 AGENT DELIVERY SYSTEMS FOR SELECTIVE NEUROMODULATION Spinal Modulation Inc. (US) 2013-10-09 EP disclosed
WO-2012174537-A2 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-20 WO disclosed
WO-2012075337-A2 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-06-07 WO disclosed
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 US disclosed
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 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 (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-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF LMNA 3286/4885TP53 2842/4885MAPT 3573/4885
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS ABCB1, ABCC1, ABCC2 LMNA 2605/4885TP53 336/4885MAPT 1077/4885

“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.