SCHEMBL4221042

SCHEMBL4221042

N#CN1CCN=C1CNc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ NISCH Q9Y2I1 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.36
▸ LTA4H P09960 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11187040 0.74 MAOA (0.43) MAOAMAOBNISCHTAAR1CYP1A2
SCHEMBL11189671 0.72 CYP1A2 (0.46) MAOAMAOBNISCHTAAR1CYP1A2
SCHEMBL11189667 0.71 MAOA (0.40) MAOAMAOBNISCHTAAR1NPC1
SCHEMBL4221036 0.67 MAOA (0.36) MAOAMAOBNISCHCYP1A2CYP2D6
N-Benzylaniline SCHEMBL27620362 0.60 HTT (0.68) LTA4HCYP1A2CYP2D6HTTKDM4E
Phenamazoline SCHEMBL936813 0.59 MAOA (1.00) MAOAMAOBNISCHTAAR1CYP1A2
N-Benzylaniline SCHEMBL28662962 0.59 HTT (0.55) LTA4HCYP1A2CYP2D6HTTKDM4E
(Phenylamino)Acetonitrile SCHEMBL197012 0.58 ALDH1A1 (0.48) CYP1A2SMN1; SMN2HTT
SCHEMBL1680561 0.58 LOXL2 (0.57) MAOAMAOBCYP1A2CYP2D6HTT
SCHEMBL6550963 0.58 KDM4E (0.49) MAOAMAOBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 — — 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 (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 MAOA 599/4885MAOB 893/4885NISCH 1027/4885

“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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