SCHEMBL686772

SCHEMBL686772

CCC(=O)NC[C@@H](Cc1ccccc1)C(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
CYP1A2 P05177 1/20 0.50
MMP2 P08253 2/20 0.49
CPA1 P15085 2/20 0.49
CPA3 P15088 2/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
PPARG P37231 1/20 0.46
LTA4H P09960 2/20 0.46
FOLH1 Q04609 1/20 0.45
MME P08473 1/20 0.44

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
SCHEMBL15499312 0.89 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2MMP2CPA1
SCHEMBL8825845 0.83 POLB (0.50) MTNR1AMTNR1BCYP1A2MMP2CPA1
SCHEMBL27101823 0.82 MME (0.50) MTNR1AMTNR1BCYP1A2MME
SCHEMBL1709339 0.81 CYP1A2 (0.64) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL1709283 0.81 CYP1A2 (0.64) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL28272057 0.81 MTNR1A (0.52) MTNR1AMTNR1BMMP2CPA1MME
SCHEMBL28106264 0.78 HDAC3 (0.57) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL28106233 0.78 HDAC3 (0.57) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL18637642 0.78 CYP1A2 (0.55) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL18637644 0.75 CYP1A2 (0.52) CYP1A2CPA1CPA3CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-07-02 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 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 (3 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-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 MTNR1A 1155/4885MTNR1B 1364/4885CYP1A2 3978/4885
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 MTNR1A 308/4885MTNR1B 552/4885CYP1A2 4581/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 MTNR1A 308/4885MTNR1B 552/4885CYP1A2 4581/4885

“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.