SCHEMBL1784726

SCHEMBL1784726

C[C@H](NC1=NCCO1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 2/20 0.48
ADRA2A P08913 4/20 0.45
ADRA2B P18089 4/20 0.45
ADRA2C P18825 4/20 0.45
CYP3A4 P08684 2/20 0.45
GMNN O75496 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
HIF1A Q16665 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
GAA P10253 3/20 0.41
CFB P00751 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
SCHEMBL2017610 1.00 TAAR1 (0.50) TAAR1POLBLMNACYP2D6ADRA2A
SCHEMBL9883869 1.00 TAAR1 (0.50) TAAR1POLBLMNACYP2D6ADRA2A
SCHEMBL6368496 0.84 ADRA2A (0.42) TAAR1POLBLMNACYP2D6ADRA2A
SCHEMBL1788139 0.78 CFB (0.46) TAAR1POLBCYP2D6ADRA2AADRA2B
SCHEMBL1120232 0.76 ADRA2A (0.41) TAAR1POLBLMNACYP2D6ADRA2A
SCHEMBL11248212 0.76 ADRA2A (0.41) TAAR1POLBCYP2D6ADRA2AADRA2B
SCHEMBL13616137 0.76 ADRA2A (0.41) TAAR1POLBCYP2D6ADRA2AADRA2B
SCHEMBL2019626 0.75 L3MBTL1 (0.49) POLBCYP2D6ADRA2AADRA2BADRA2C
SCHEMBL11250505 0.74 ADRA2A (0.40) TAAR1POLBLMNACYP2D6ADRA2A
SCHEMBL12870235 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193118-B2 Insecticidal substituted benzylamino heterocyclic and heteroaryl derivatives FMC CORPORATION (US) 2012-06-05 US disclosed
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20090036306-A1 Insecticidal Substituted Benzylamino Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-02-05 US disclosed
WO-2008119506-A2 INSECTICIDAL DERIVATIVES OF SUBSTITUTED PHENYLALKYLAMINES BAYER CROPSCIENCE AG (DE) 2008-10-09 WO disclosed
WO-2008119506-A2 INSECTICIDAL DERIVATIVES OF SUBSTITUTED PHENYLALKYLAMINES BAYER CROPSCIENCE AG (DE) 2008-10-09 WO disclosed
WO-2008119511-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2008-10-09 WO disclosed
EP-1977645-A1 Insecticidal derivates of substituted phenylalkylamines Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1977645-A1 Insecticidal derivates of substituted phenylalkylamines Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1977644-A1 Insecticidal derivatives of substituted benzylamines Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1977644-A1 Insecticidal derivatives of substituted benzylamines Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 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-20090036306-A1 Insecticidal Substituted Benzylamino Heterocyclic and Heteroaryl Derivatives DDT, AADAC, CYP4B1 TAAR1 139/4885POLB 4631/4885LMNA 2928/4885
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BCHE, PNMT, TMBIM6 TAAR1 424/4885POLB 4382/4885LMNA 1476/4885

“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.