SCHEMBL20878548

SCHEMBL20878548

CNC(N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.59
▸ SIGMAR1 Q99720 2/20 0.59
▸ SLC18A2 Q05940 1/20 0.59
▸ SLC6A2 P23975 2/20 0.58
▸ MAOA P21397 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ CYP2A6 P11509 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ EPHX1 P07099 1/20 0.56
▸ CYP2D6 P10635 1/20 0.54
▸ ANPEP P15144 1/20 0.48
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47

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
SCHEMBL17992977 1.00 TAAR1 (0.59) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
Dextroamphetamine SCHEMBL1435827 0.77 TAAR1 (0.86) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
SCHEMBL4091905 0.77 TAAR1 (0.59) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
Methamphetamine SCHEMBL9824299 0.77 SIGMAR1 (0.84) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
SCHEMBL1697045 0.76 SIGMAR1 (0.64) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
SCHEMBL11783693 0.76 EPHX1 (0.54) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL18032935 0.76 SIGMAR1 (0.59) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Methamphetamine SCHEMBL13737281 0.75 TAAR1 (0.81) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
Methamphetamine SCHEMBL4083435 0.75 TAAR1 (0.81) TAAR1SIGMAR1SLC18A2SLC6A2MAOA
SCHEMBL20403618 0.75 TAAR1 (0.52) TAAR1SIGMAR1SLC18A2SLC6A2MAOA

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-10253254-B2 Substituted benzo[f]imidazo[1,2-a]quinoxalines PROLUME, LTD. (US) 2019-04-09 — — 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-10253254-B2 Substituted benzo[f]imidazo[1,2-a]quinoxalines CACYBP, FABP2, CALCOCO2 TAAR1 2885/4885SIGMAR1 589/4885SLC18A2 967/4885

“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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