SCHEMBL15048029

SCHEMBL15048029

O=C(N1CCC[C@H]1c1nc2cc(C#Cc3ccc4[nH]c([C@@H]5CCCN5C(=O)C5(c6ccccc6)CC5)nc4c3)ccc2[nH]1)C1(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
PRCP P42785 5/20 0.45
HCRTR1 O43613 9/20 0.44
HCRTR2 O43614 9/20 0.44
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL12509478 0.89 HSD11B1 (0.50) HSD11B1PRCPHCRTR1HCRTR2
SCHEMBL2775481 0.82 HCRTR1 (0.46) PRCPHCRTR1HCRTR2
SCHEMBL2777207 0.82 PRCP (0.51) PRCPHCRTR1HCRTR2
SCHEMBL2777787 0.82 HCRTR1 (0.46) PRCPHCRTR1HCRTR2
SCHEMBL12422955 0.80 HCRTR1 (0.40) PRCPHCRTR1HCRTR2
SCHEMBL2778769 0.80 HCRTR1 (0.46) PRCPHCRTR1HCRTR2
SCHEMBL2775716 0.80 PRCP (0.49) PRCPHCRTR1HCRTR2
SCHEMBL1836139 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2778773 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL12798462 0.79 PRCP (0.53) PRCPHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-20 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-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 HSD11B1 3103/4885PRCP 2425/4885HCRTR1 1341/4885
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 HSD11B1 3103/4885PRCP 2425/4885HCRTR1 1341/4885

“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.