SCHEMBL3581279

SCHEMBL3581279

CCOC(=O)c1cnn2ccc3c(c12)C(CC#N)CC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MTNR1A P48039 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAP2K1 Q02750 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 8/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL3583501 0.85 MTNR1A (0.44) DRD2DRD4DRD3MTNR1ASMN1; SMN2
SCHEMBL16309064 0.69 SMN1; SMN2 (0.51) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL3579151 0.69 MEN1 (0.41) MTNR1AKDM4EALDH1A1HPGDCYP3A4
SCHEMBL16309075 0.68 SMN1; SMN2 (0.50) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL24712976 0.67 SMN1; SMN2 (0.49) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL26537904 0.67 SMN1; SMN2 (0.49) DRD2DRD4DRD3SMN1; SMN2MAP2K1
SCHEMBL18863880 0.67 ALDH1A1 (0.52) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL16309072 0.67 SMN1; SMN2 (0.49) DRD2DRD4DRD3SMN1; SMN2MAP2K1
SCHEMBL25780650 0.67 SMN1; SMN2 (0.46) DRD2DRD4DRD3SMN1; SMN2MAP2K1
SCHEMBL128266 0.67 MTNR1A (0.47) DRD2DRD4DRD3MTNR1ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP 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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH DRD2 31/4885DRD4 181/4885DRD3 75/4885

“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.