SCHEMBL88801

SCHEMBL88801

Cc1ccc2c(c1)N(CCCO)C(=O)C(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
REN P00797 4/20 0.44
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13434188 0.96 MAPT (0.46) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL13434196 0.95 MAPT (0.45) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL89090 0.92 MAPT (0.48) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL89091 0.87 REN (0.46) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL89403 0.87 REN (0.46) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL90227 0.87 MAPT (0.44) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL13091047 0.85 ALDH1A1 (0.47) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL89417 0.85 REN (0.59) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL89089 0.85 MAPT (0.43) MAPTTSHRHPGDNPSR1ALDH1A1
SCHEMBL13434190 0.84 REN (0.56) MAPTTSHRHPGDNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (2 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MAPT 1089/4885TSHR 1095/4885HPGD 723/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 MAPT 3478/4885TSHR 634/4885HPGD 1367/4885

“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.