SCHEMBL11078092

SCHEMBL11078092

CCCCNCC(CN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
ALDH1A1 P00352 4/20 0.43
HTR2A P28223 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11078786 0.90 GABBR2 (0.44) GRIN1GRIN2AHTR2AGABBR2GABBR1
SCHEMBL12638434 0.86 GRIN1 (0.50) GRIN1GRIN2AALDH1A1HTR2AGABBR2
SCHEMBL11083706 0.82 GABBR2 (0.47) HTR2AGABBR2GABBR1TAAR1KDM4E
SCHEMBL20663756 0.82 GRIN1 (0.46) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL18539396 0.79 GRIN1 (0.50) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL17091541 0.79 GRIN1 (0.50) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL7791795 0.77 TAAR1 (0.53) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL9973173 0.77 GRIN1 (0.72) GRIN1GRIN2AALDH1A1HTR2APOLB
SCHEMBL4948330 0.77 HTR2A (0.49) ALDH1A1HTR2APOLBGABBR2GABBR1
SCHEMBL18539395 0.77 GRIN1 (0.47) GRIN1GRIN2AALDH1A1POLBMAPT

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-9738647-B2 Methods for the synthesis of polycyclic guanidine compounds SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-08-22 US disclosed
US-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2014-07-10 US disclosed
US-8642771-B2 Methods for the synthesis of polycyclic guanidine compounds NOVOMER, INC. (US) 2014-02-04 US disclosed
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2012-10-11 US disclosed
EP-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 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 (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-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS GNMT, GMPS, GDA GRIN1 328/4885GRIN2A 192/4885ALDH1A1 2770/4885
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS GNMT, GMPS, GDA GRIN1 328/4885GRIN2A 192/4885ALDH1A1 2770/4885

“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.