SCHEMBL2294828

SCHEMBL2294828

Cc1nc2ccc3c(c2s1)/C(=C\CN)CC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.65
MTNR1B P49286 8/20 0.65
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
PTK2B Q14289 1/20 0.31
NCOA2 Q15596 1/20 0.31

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
SCHEMBL2294834 1.00 MTNR1A (0.65) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL12214771 0.85 MTNR1A (0.59) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL19114476 0.83 MTNR1A (0.60) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL2294573 0.79 MTNR1A (1.00) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL20709815 0.79 MTNR1A (0.69) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL2294579 0.79 MTNR1A (1.00) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL29426435 0.79 MTNR1A (1.00) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL2301169 0.78 MTNR1A (0.56) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL2301171 0.78 MTNR1A (0.56) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL20709816 0.74 MTNR1A (0.50) MTNR1AMTNR1BRAB9ANPC1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895591-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
EP-2029561-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-09 US disclosed
US-8552037-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-08 US disclosed
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-8349879-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8318784-B2 2012-11-27 US disclosed
US-8236837-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-07 US disclosed
US-8030337-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-04 US disclosed
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 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 (5 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-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885RAB9A 3305/4885
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885RAB9A 3305/4885
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885RAB9A 3305/4885
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885RAB9A 3305/4885
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885RAB9A 3305/4885

“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.