SCHEMBL4209729

SCHEMBL4209729

Clc1cccc(NCC2=NCCN2)c1Cl

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 11/20 0.78
▸ ADRA2B P18089 10/20 0.78
▸ ADRA1A P35348 14/20 0.58
▸ ADRA1D P25100 12/20 0.58
▸ ADRA1B P35368 11/20 0.58
▸ ADRA2A P08913 9/20 0.58
▸ MAOA P21397 2/20 0.58
▸ MAOB P27338 2/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.55
▸ NISCH Q9Y2I1 1/20 0.55

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
Hydrochloric Acid SCHEMBL9654151 0.99 ADRA2C (0.76) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL11231308 0.88 ADRA2C (1.00) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL11227435 0.87 ADRA2C (0.97) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL10965126 0.86 ADRA2C (0.74) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL11157947 0.86 ADRA2C (0.74) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9654925 0.85 ADRA2C (0.72) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9654125 0.85 ADRA2C (0.72) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9654750 0.85 ADRA2C (0.72) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6366752 0.83 ADRA2B (0.79) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL10448213 0.81 ADRA2C (0.60) ADRA2CADRA2BADRA1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058635-B1 SUBSTITUTED 2-ANILINOMETHYL-2 IMIDAZOLIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR PESTICIDAL APPLICATION CIBA-GEIGY AG (CH) 1985-07-03 — — EP claimed
US-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 — — US disclosed
US-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 — — US disclosed
US-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 — — US disclosed
EP-1879455-A1 INSECTICIDAL SUBSTITUTED AMINOALKYL HETEROCYCLIC AND HETEROARYL DERIVATIVES Bayer CropScience AG (DE) 2008-01-23 — — EP disclosed
WO-2006119411-A1 INSECTICIDAL SUBSTITUTED AMINOALKYL HETEROCYCLIC AND HETEROARYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-11-09 — — 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 (1 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-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives DDT, AADAC, DDC ADRA2C 512/4885ADRA2B 728/4885ADRA1A 799/4885

“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.

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