SCHEMBL697719

SCHEMBL697719

c1ccc(CC2=NCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CALM1 P0DP23 1/20 0.44
SORT1 Q99523 1/20 0.42
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL6477196 0.80 SOS1 (0.37) TAAR1LMNACHRNB4CHRNA3HTR2C
SCHEMBL1429748 0.80 ALOX15 (0.46) LMNACYP2D6TSHRCHRNB4CHRNA3
SCHEMBL6483247 0.76 SLC6A4 (0.41) CYP1A2ADRA2AADRA2BADRA2CMAPT
SCHEMBL1429703 0.71 TAAR1 (0.49) TAAR1LMNAADRA2AADRA2BADRA2C
SCHEMBL11161143 0.71 ADRA2A (0.41) TAAR1LMNACYP1A2CYP2D6TSHR
Diphenylmethane SCHEMBL28085719 0.69 CALM1 (0.80) LMNACALM1
Diphenylmethane SCHEMBL28072604 0.69 CALM1 (0.80) LMNACALM1
SCHEMBL28487686 0.68 TAAR1 (0.50) TAAR1LMNACYP1A2CYP2D6TSHR
SCHEMBL11816040 0.67 TSHR (0.40) LMNACYP1A2TSHRMAPTMAOA
SCHEMBL11597510 0.67 TAAR1 (0.79) TAAR1LMNACYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118203623-A Application of radix Angelicae sinensis and radix astragali blood circulation promoting preparation in preparation of medicine for treating arteriosclerosis 鲁南厚普制药有限公司 2024-06-18 CN disclosed
CN-117616069-A Crosslinked silicone resin, method for producing same, and cosmetic 信越化学工业株式会社 2024-02-27 CN disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
CN-1191254-C Fused pyrrole compounds, pharmaceutical composition containing the same, and the use thereof MARCKLE GMBH (DE) 2005-03-02 CN disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed
CN-1418217-A Fused pyrrole compounds, pharmaceutical composition containing the same, and the use thereof MARCKLE GMBH (DE) 2003-05-14 CN disclosed
EP-1246825-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2002-10-09 EP disclosed
WO-2001051491-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2001-07-19 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 TAAR1 805/4885LMNA 3996/4885CYP1A2 2460/4885
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 TAAR1 2005/4885LMNA 4779/4885CYP1A2 35/4885

“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.