SCHEMBL20200994

SCHEMBL20200994

C#CCCC1c2c(c3ccccc3n2C)CCN1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HTR5A P47898 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAOA P21397 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL13877240 0.74 SLC6A4 (0.46) SLC6A4CYP1A2CYP2D6HTR5AHTR2A
SCHEMBL20186695 0.69 ABCB1 (0.38) SLC6A4CYP1A2CYP2D6ALOX15KDM4E
SCHEMBL18201257 0.68 ABCB1 (0.35) KDM4EABCB1ABCG2
SCHEMBL14627593 0.67 SLC6A4 (0.48) SLC6A4CYP1A2CYP2D6HTR5AHTR2A
SCHEMBL10851703 0.66 ABCB1 (0.41) SLC6A4CYP1A2CYP2D6HTR5AKDM4E
SCHEMBL13877241 0.66 SLC6A4 (0.47) SLC6A4CYP1A2CYP2D6HTR5AHTR2A
SCHEMBL10689191 0.65 SLC6A4 (0.46) SLC6A4CYP1A2CYP2D6HTR5AHTR2A
SCHEMBL10804503 0.65 ABCB1 (0.40) SLC6A4HTR5AKDM4EHSD17B10MAPT
SCHEMBL10854607 0.65 ABCB1 (0.39) SLC6A4CYP1A2CYP2D6HTR5AKDM4E
SCHEMBL10851137 0.65 HTR5A (0.40) SLC6A4CYP1A2CYP2D6HTR5AHTR2A

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-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 — — 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-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT SLC6A4 927/4885CYP1A2 624/4885CYP2D6 1672/4885

“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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