SCHEMBL2274909

SCHEMBL2274909

O=C(OCc1ccccc1)C1CCCN1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
FKBP1A P62942 10/20 0.59
SPHK1 Q9NYA1 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
OPRL1 P41146 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MMEL1 Q495T6 1/20 0.50

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
SCHEMBL2274911 1.00 POLB (0.61) POLBFKBP1ASPHK1MEN1KMT2A
SCHEMBL2770293 0.92 FKBP1A (0.55) POLBFKBP1ASPHK1MEN1KMT2A
SCHEMBL21869793 0.91 POLB (0.58) POLBFKBP1ASPHK1MEN1KMT2A
SCHEMBL11026079 0.89 FKBP1A (0.56) POLBFKBP1AMEN1KMT2AMMEL1
SCHEMBL4937902 0.88 MEN1 (0.71) POLBSPHK1MEN1KMT2AALDH1A1
SCHEMBL1188654 0.88 MEN1 (0.71) POLBSPHK1MEN1KMT2AALDH1A1
SCHEMBL1904635 0.88 MEN1 (0.71) POLBSPHK1MEN1KMT2AALDH1A1
SCHEMBL13832798 0.88 FKBP1A (0.58) POLBFKBP1AMEN1KMT2AMMEL1
SCHEMBL15626755 0.88 FKBP1A (0.58) POLBFKBP1AMEN1KMT2AMMEL1
SCHEMBL1878985 0.88 FKBP1A (0.58) POLBFKBP1AMEN1KMT2AMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ POLB 2556/4885FKBP1A 1864/4885SPHK1 4008/4885

“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.