SCHEMBL5055858

SCHEMBL5055858

C[C@@H](Cn1ncc2ccc(OCc3ccccc3)cc21)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
MCHR2 Q969V1 2/20 0.47
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAOA P21397 1/20 0.43
ATM Q13315 1/20 0.43
CTSK P43235 3/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
CTSS P25774 1/20 0.42
KMO O15229 1/20 0.42
ACACB O00763 1/20 0.42
PTGES O14684 1/20 0.41

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
SCHEMBL4779482 1.00 MCHR1 (0.47) MCHR1MCHR2KCNH2HTR2AHTR2C
SCHEMBL6359649 0.92 HTR2A (0.54) MCHR1MCHR2HTR2AHTR2CHTR2B
SCHEMBL5636335 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BATMCTSK
SCHEMBL5050630 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BATMCTSK
SCHEMBL14274480 0.84 PREP (0.43) MCHR1MCHR2MAOAATMCTSK
SCHEMBL3545732 0.82 HTR2A (0.51) MCHR1MCHR2KCNH2HTR2AHTR2C
SCHEMBL5783787 0.82 HTR2A (0.51) MCHR1MCHR2KCNH2HTR2AHTR2C
SCHEMBL3545731 0.82 HTR2A (0.51) MCHR1MCHR2KCNH2HTR2AHTR2C
SCHEMBL4793492 0.80 HDAC8 (0.43) MCHR1MCHR2MAOAATMCTSK
SCHEMBL14274481 0.79 CTSK (0.40) MCHR1MCHR2MAOAATMCTSK

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-20080033184-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS ALCON MANUFACTURING, LTD. (US) 2008-02-07 US claimed
US-20080033184-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS ALCON MANUFACTURING, LTD. (US) 2008-02-07 US disclosed
US-20080033184-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS ALCON MANUFACTURING, LTD. (US) 2008-02-07 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-20080033184-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS HTR3B, HTR3A, HTR4 MCHR1 181/4885MCHR2 366/4885KCNH2 1662/4885

“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.