SCHEMBL6369532

SCHEMBL6369532

Oc1ccc(CCNC2=NCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ TTBK1 Q5TCY1 1/20 0.42
▸ TTBK2 Q6IQ55 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL6368497 0.84 GFER (0.39) SIGMAR1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL4217069 0.84 ADRA2A (0.52) TAAR1HTTRAB9AALDH1A1SMN1; SMN2
SCHEMBL4401199 0.75 ADRA2A (0.45) TAAR1KDM4EADRA2AADRA2BADRA2C
SCHEMBL9558829 0.70 ADRA2A (0.46) TAAR1SMN1; SMN2KDM4EADRA2AADRA2B
SCHEMBL11125378 0.69 — —
SCHEMBL2023829 0.67 ADRA2A (0.50) HTTADRA2AADRA2BADRA2C
SCHEMBL9558509 0.66 ADRA2A (0.43) TAAR1ADRA2AADRA2BADRA2CCYP1A2
SCHEMBL7381628 0.65 TMEM97 (0.67) TMEM97SIGMAR1TAAR1ALDH1A1ESR1
SCHEMBL1726232 0.65 SMN1; SMN2 (0.43) SMN1; SMN2ADRA2AADRA2BADRA2CCYP1A2
SCHEMBL11246301 0.65 RAB9A (0.47) TAAR1RAB9AALDH1A1NR2F2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119461-A1 Novel receptor, and compounds which bind thereto THE UNIVERSITY OF MELBOURNE 2005-06-02 — — US disclosed
EP-1044194-A4 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS UNIV MELBOURNE (AU) 2002-01-09 — — EP disclosed
EP-1044194-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 2000-10-18 — — EP disclosed
WO-1999024411-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 1999-05-20 — — WO 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-20050119461-A1 Novel receptor, and compounds which bind thereto GPR27, GPR174, GPR52 TMEM97 108/4885SIGMAR1 169/4885TTBK1 2666/4885

“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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