SCHEMBL4233587

SCHEMBL4233587

CC1(C)COC(c2ccc(C3(O)CCN(Cc4ccccc4)CC3)cc2)=N1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.59
POLB P06746 1/20 0.57
CCR3 P51677 2/20 0.57
LTA4H P09960 2/20 0.47
DRD4 P21917 2/20 0.45
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL11832147 0.82 OPRL1 (0.54) OPRL1POLBCCR3LTA4H
SCHEMBL4229239 0.82 HRH3 (0.44) OPRL1CCR3KDM4E
SCHEMBL3890625 0.79 OPRL1 (0.82) OPRL1POLBCCR3DRD4KDM4E
SCHEMBL18715834 0.79 MEN1 (0.48) LTA4HDRD4KMT2ADRD2DRD3
SCHEMBL6169096 0.78 ALDH1A1 (0.47) DRD4KDM4EKMT2ADRD2DRD3
SCHEMBL11835351 0.78 OPRL1 (0.46) OPRL1POLBCCR3LTA4HKDM4E
SCHEMBL4229650 0.78 HRH3 (0.43) OPRL1KDM4E
SCHEMBL7274935 0.78 HRH3 (0.38) KDM4E
SCHEMBL11844790 0.77 OPRL1 (0.45) OPRL1POLBCCR3
SCHEMBL1411499 0.76 OPRL1 (1.00) OPRL1POLBCCR3LTA4HDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960238-B1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 EP disclosed
EP-2960238-B1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 EP disclosed
EP-2960238-A1 MONOCYCLIC PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-2960238-A1 MONOCYCLIC PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2015-12-30 EP disclosed
US-8933099-B2 Monocyclic pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-13 US disclosed
US-8933099-B2 Monocyclic pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-13 US disclosed
US-8933099-B2 Monocyclic pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-13 US disclosed
WO-2014129477-A1 MONOCYCLIC PYRIDINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2014-08-28 WO disclosed
US-20140235614-A1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-21 US disclosed
US-20140235614-A1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-21 US disclosed
US-20140235614-A1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-21 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R OPRL1 19/4885POLB 4249/4885CCR3 1438/4885
US-20140235614-A1 MONOCYCLIC PYRIDINE DERIVATIVE FGFR2, FGFR1, FGFR3 OPRL1 836/4885POLB 4610/4885CCR3 3445/4885

“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.