SCHEMBL13877241

SCHEMBL13877241

CCCN1CCc2c(n(C)c3ccccc23)C1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.47
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ DHFR P00374 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR5A P47898 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR3 P46089 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
SCHEMBL14627593 0.90 SLC6A4 (0.48) SLC6A4MAOAMAOBCYP1A2CYP2D6
SCHEMBL16373144 0.83 ABCB1 (0.47) SLC6A4MAOAMAOBCYP1A2CYP2D6
SCHEMBL13877240 0.81 SLC6A4 (0.46) SLC6A4MAOAMAOBCYP1A2CYP2D6
SCHEMBL13877239 0.76 SLC6A4 (0.43) SLC6A4MAOAMAOBCYP1A2CYP2D6
SCHEMBL14595413 0.75 SLC6A4 (0.42) SLC6A4MAOAMAOBCYP1A2CYP2D6
SCHEMBL11184992 0.71 CYP3A4 (0.41) SLC6A4CYP1A2CYP2D6PDE5AALOX15
SCHEMBL11472043 0.70 CYP3A4 (0.47) CYP1A2CYP2D6PDE5AALOX15KDM4E
SCHEMBL11822161 0.69 CYP1A2 (0.47) SLC6A4MAOAMAOBCYP1A2CYP2D6
SCHEMBL30148104 0.69 ABCB1 (0.50) PDE5AKDM4EHSD17B10ABCB1ABCG2
SCHEMBL14104617 0.69 HPGD (0.37) SLC6A4MAOAMAOBALDH1A1

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
US-9523031-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-20 — — US disclosed
US-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-09 — — US disclosed
US-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-09 — — US disclosed
US-20070224448-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-27 — — US disclosed
US-20070190355-A1 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD (JP) 2007-08-16 — — US disclosed
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 — — 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-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME INTS9, KCNN2, KCNH3 SLC6A4 2552/4885MAOA 812/4885MAOB 1843/4885

“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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