SCHEMBL12804348

SCHEMBL12804348

CCOC(=O)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.78
NPC1 O15118 3/20 0.78
POLB P06746 3/20 0.78
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ATM Q13315 1/20 0.75
AKR1C3 P42330 6/20 0.64
HRH4 Q9H3N8 3/20 0.62
KDM4E B2RXH2 1/20 0.59
HRH3 Q9Y5N1 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL29744041 1.00 RAB9A (0.78) RAB9ANPC1POLBMEN1KMT2A
Indole-2-Carboxylic Acid SCHEMBL14158195 0.96 RAB9A (0.72) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL14158447 0.96 RAB9A (0.72) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL12803717 0.82 AKR1C3 (0.67) POLBAKR1C3HRH4HRH3SMN1; SMN2
SCHEMBL29465452 0.81 HRH4 (0.68) POLBMEN1KMT2AAKR1C3HRH4
SCHEMBL22615235 0.81 HRH4 (0.68) POLBMEN1KMT2AAKR1C3HRH4
SCHEMBL13173585 0.81 AKR1C3 (0.57) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL4362902 0.81 AKR1C3 (0.71) POLBAKR1C3HRH4HRH3SMN1; SMN2
SCHEMBL13174681 0.81 AKR1C3 (0.67) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL15962961 0.80 AKR1C3 (0.80) POLBAKR1C3HRH4HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
WO-2012170098-A2 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-13 WO disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 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-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME RAB9A 2037/4885NPC1 1232/4885POLB 2352/4885

“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.