SCHEMBL172421

SCHEMBL172421

NCCc1c(-c2ccc(F)cc2)nn2ccc3c(c12)CCO3

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.54
MTNR1B P49286 9/20 0.54
MAPK14 Q16539 2/20 0.36
EED O75530 6/20 0.35
SUZ12 Q15022 5/20 0.33
EZH2 Q15910 5/20 0.33
MAOB P27338 1/20 0.32

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
Hydrochloric Acid SCHEMBL130262 0.99 MTNR1A (0.53) MTNR1AMTNR1BMAPK14EEDSUZ12
SCHEMBL172472 0.88 MTNR1A (0.67) MTNR1AMTNR1BEEDSUZ12EZH2
Hydrochloric Acid SCHEMBL125151 0.87 MTNR1A (0.66) MTNR1AMTNR1BEEDSUZ12EZH2
SCHEMBL124654 0.86 MTNR1A (0.53) MTNR1AMTNR1BMAPK14EEDSUZ12
SCHEMBL124932 0.83 MTNR1A (0.48) MTNR1AMTNR1BMAPK14EEDSUZ12
SCHEMBL126984 0.81 MTNR1B (0.82) MTNR1AMTNR1B
SCHEMBL126117 0.80 MTNR1B (0.71) MTNR1AMTNR1B
SCHEMBL125039 0.78 MTNR1A (0.66) MTNR1AMTNR1BEEDSUZ12EZH2
SCHEMBL127627 0.78 MTNR1A (0.67) MTNR1AMTNR1BEED
SCHEMBL172491 0.77 MTNR1A (0.52) MTNR1AMTNR1BMAPK14EED

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 MTNR1A 1/4885MTNR1B 2/4885MAPK14 2902/4885

“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.