SCHEMBL123166

SCHEMBL123166

CCC(=O)NCC=C1CCc2cnc3c(c21)CCO3

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 18/20 0.54
MTNR1A P48039 17/20 0.54
NQO2 P16083 2/20 0.43
ABCB11 O95342 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 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
SCHEMBL123165 1.00 MTNR1B (0.54) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL172448 0.84 MTNR1B (0.37) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL793401 0.80 MTNR1B (0.56) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL2881136 0.80 MTNR1B (0.56) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL805922 0.80 MTNR1B (0.56) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL124497 0.78 MTNR1B (0.44) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL124498 0.78 MTNR1B (0.44) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL124527 0.76 ALDH1A1 (0.30) ALDH1A1CYP1A2
SCHEMBL126190 0.73 MTNR1B (0.53) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL2295828 0.71 MTNR1A (0.69) MTNR1BMTNR1ANQO2

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 6 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
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
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 2/4885MTNR1A 1/4885NQO2 1634/4885

“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.