SCHEMBL21790794

SCHEMBL21790794

CCCC(C)(C)NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 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
SCHEMBL31385340 0.82 MAOA (0.55) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL7749926 0.82 MAOA (0.55) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL19214858 0.81 CYP1A2 (0.46) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL16741775 0.81 MAOA (0.47) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL18893405 0.79 MAOA (0.49) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL16225118 0.75 MAOA (0.51) MAOAMAOBSMN1; SMN2CHRM2HRH3
SCHEMBL31536403 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL7440376 0.74 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL19465295 0.74 CYP1A2 (0.46) MAOAMAOBSMN1; SMN2HRH3ALDH1A1
SCHEMBL19176757 0.74 FDPS (0.45) MAOAMAOBSMN1; SMN2HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204452-A1 ANTIMALARIAL COMPOUNDS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2022-06-30 US disclosed
US-11236195-B2 Corrosion-indicating materials and methods of making and using the same SAUDI ARABIAN OIL COMPANY (SA) 2022-02-01 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 MAOA 2332/4885MAOB 1117/4885SMN1; SMN2 3208/4885
US-20220204452-A1 ANTIMALARIAL COMPOUNDS H1-3, FPR3, NHERF1 MAOA 1480/4885MAOB 729/4885SMN1; SMN2 1026/4885

“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.