SCHEMBL3583501

SCHEMBL3583501

CCOC(=O)c1cnn2ccc3c(c12)C(CCN)CC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL3581279 0.85 DRD2 (0.39) MTNR1AMTNR1BSMN1; SMN2DRD2DRD4
SCHEMBL3580128 0.82 MTNR1A (0.53) MTNR1AMTNR1BSMN1; SMN2HPGDLMNA
SCHEMBL18863880 0.70 ALDH1A1 (0.52) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL16309064 0.70 SMN1; SMN2 (0.51) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL16309075 0.69 SMN1; SMN2 (0.50) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL3574649 0.69 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1HPGDLMNA
SCHEMBL3574771 0.69 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL25423311 0.69 ALDH1A1 (0.50) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL18839987 0.69 ALDH1A1 (0.50) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL15016989 0.69 ALDH1A1 (0.50) SMN1; SMN2DRD2DRD4DRD3ALDH1A1

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 MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 1636/4885

“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.