SCHEMBL16397192

SCHEMBL16397192

C=CCc1cc(Cl)cc(COc2ccccc2CC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SLC1A5 Q15758 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ CFD P00746 3/20 0.36
▸ F11 P03951 3/20 0.36
▸ TPSB2 P20231 3/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAU P00749 1/20 0.36

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
SCHEMBL16397377 0.84 CFD (0.43) MTNR1AMTNR1BSLC1A5MAPTSMN1; SMN2
SCHEMBL16396265 0.83 MTNR1A (0.40) MTNR1AMTNR1BSLC1A5CYP2C9PTGER1
SCHEMBL16396881 0.83 MTNR1A (0.40) MTNR1AMTNR1BSLC1A5CYP2C9PTGER1
SCHEMBL16397748 0.82 CFD (0.38) MTNR1AMTNR1BSLC1A5MAPTSMN1; SMN2
SCHEMBL16410429 0.82 MEN1 (0.43) MTNR1AMTNR1BMAPTSMN1; SMN2CYP2C9
SCHEMBL16396476 0.81 MTNR1A (0.40) MTNR1AMTNR1BSLC1A5MAPTSMN1; SMN2
SCHEMBL16410293 0.80 CFD (0.46) MTNR1AMTNR1BLMNAPTGER1CFD
SCHEMBL16410260 0.79 CYP17A1 (0.43) MTNR1AMTNR1BSLC1A5LMNACYP2C9
SCHEMBL16410446 0.79 MTNR1A (0.38) MTNR1AMTNR1BSLC1A5MAPTSMN1; SMN2
SCHEMBL16396268 0.79 MEN1 (0.40) MAPTSMN1; SMN2LMNACYP2C9PTGER1

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB MTNR1A 2124/4885MTNR1B 966/4885ADRB2 1564/4885

“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.

Send feedback