SCHEMBL2224162

SCHEMBL2224162

CCN(CC)C(C)Oc1cc[c]cc1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL9706129 0.86 ALDH1A3 (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10372508 0.85 KCNA5 (0.34) KCNH2
SCHEMBL10429856 0.80 ADRA2A (0.43) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3164644 0.79
SCHEMBL3163544 0.79 BCHE (0.31) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3327499 0.78 ALDH1A3 (0.34) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL15412521 0.78 ADRA2A (0.42) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL5122376 0.78 CYP1A2 (0.30)
SCHEMBL1578641 0.78 CYP1A2 (0.30)
SCHEMBL4886698 0.77 LDHA (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4659719-A CALCIUM OR SEROTONIN ANTAGONIST SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1987-04-21 US disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP disclosed
US-4213994-A Imidazolyl-(2)-carbinols having hypolipidemic action and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-22 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 PGR 3804/4885ADRA2A 2609/4885ADRA2B 2202/4885
US-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 PGR 111/4885ADRA2A 1175/4885ADRA2B 919/4885

“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.