SCHEMBL127496

SCHEMBL127496

CN(C)Cc1c(-c2ccccc2)nc2ccc3c(n12)CCO3

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.63
SLC2A1 P11166 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H4 Q96RI1 1/20 0.33
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL126018 0.81 MTNR1B (0.60) MTNR1BSLC2A1SMN1; SMN2KDM4ERAB9A
SCHEMBL124010 0.78 MTNR1B (1.00) MTNR1B
SCHEMBL122622 0.64 NTRK1 (0.44) MTNR1BSLC2A1SMN1; SMN2KDM4ERAB9A
SCHEMBL17718869 0.63 SLC2A1 (1.00) SLC2A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL8879204 0.62 SLC2A1 (0.42) SLC2A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL6642955 0.58 KDM4E (0.51) SLC2A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL2792359 0.57 ALDH1A1 (0.68) SLC2A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL11718950 0.56 NR4A2 (0.68) KDM4E
SCHEMBL11481000 0.55 CYP1A2 (0.50) SLC2A1SMN1; SMN2KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL11716442 0.55 NR4A2 (0.66) KDM4E

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
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 EP disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR MTNR1B 2/4885SLC2A1 2569/4885SMN1; SMN2 1640/4885

“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.