SCHEMBL4409890

SCHEMBL4409890

COc1ccc2c(c1)CN1CCN(C(=O)OC(C)(C)C)CC1CO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MMP1 P03956 2/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
ALDH1A1 P00352 1/20 0.43
STS P08842 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
MMP13 P45452 1/20 0.41
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ABL2 P42684 1/20 0.40
BMP1 P13497 1/20 0.40
TP53 P04637 2/20 0.40
RIPK1 Q13546 1/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4411026 0.87 USP30 (0.40) HRH3
SCHEMBL4418602 0.87 RIPK1 (0.46) STSRIPK1
SCHEMBL4407499 0.85 MAPT (0.41) STSMMP13
SCHEMBL4406512 0.84 USP30 (0.49) SRCEGFR
SCHEMBL4407107 0.84 MAPK1 (0.44)
SCHEMBL4410030 0.83 LMNA (0.39) HRH3MMP13TP53RIPK1LMNA
SCHEMBL4406534 0.82 ESR2 (0.40) TP53RIPK1EPHX2
SCHEMBL30106597 0.81 RIPK1 (0.46) RIPK1
SCHEMBL24558105 0.79 KRAS (0.40)
SCHEMBL23512794 0.79 KRAS (0.39)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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 (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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A MTNR1A 223/4885MMP1 3543/4885MMP9 2541/4885

“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.