SCHEMBL3192383

SCHEMBL3192383

O=C(Oc1cc(=O)oc2cc(N3CCNCC3)ccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA5B Q9Y2D0 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
Trifluoroacetic Acid SCHEMBL3192367 0.81 BACE1 (0.44) ABHD6BACE1ALDH1A1MMP12HTR3E
SCHEMBL13484139 0.77 ALDH1A1 (0.53) ALDH1A1MMP12HTR3EHTR3BHTR2C
SCHEMBL13484381 0.74 ADRB1 (0.53) ALDH1A1CA12CA1MAOBMAPT
Trifluoroacetic Acid SCHEMBL30261862 0.69 HTR1A (0.44) ABHD6BACE1ALDH1A1KDM4E
SCHEMBL31743450 0.69 HTR3E (0.53) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL16671806 0.69 HTR3E (0.53) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL26770796 0.65 PDE2A (0.61) ALDH1A1MMP12MAPTTHRBPDK2
SCHEMBL5201175 0.65 HTR3E (0.55) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL28637400 0.65 ALDH1A1 (0.57) ALDH1A1CA12CA1MAOBMAPT
Hydrochloric Acid SCHEMBL27413795 0.64 HTR3E (0.54) ALDH1A1HTR3EHTR3BHTR1DHTR2C

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-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — 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 (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-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters SLC18A2, SLC6A2, SLC18A3 ABHD6 2817/4885BACE1 1724/4885ALDH1A1 904/4885
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 ABHD6 2817/4885BACE1 1724/4885ALDH1A1 904/4885

“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.

Send feedback