Sugi Predict

Sugi Predict / Compounds / SCHEMBL1911299

SCHEMBL1911299

SCHEMBL1911299

CN1CC[C@@H](NC(=O)Nc2conc2-c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSC P53634 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ EPHX2 P34913 4/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ AKT1 P31749 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
SCHEMBL360841 0.77 TSHR (0.43) MAPK1TSHRCTSLCTSBCTSS
SCHEMBL356730 0.76 CTSL (0.65) TSHRCTSLCTSBCTSSCTSC
SCHEMBL1911307 0.75 MAPT (0.53) MAPK1CTSLCTSBCTSSCTSC
SCHEMBL16585533 0.72 NTRK1 (0.65) TSHR
SCHEMBL1911204 0.72 RECQL (0.54) GAASSTR1SSTR4KDM4EEPHX2
SCHEMBL14392368 0.72 RECQL (0.54) GAASSTR1SSTR4KDM4EEPHX2
SCHEMBL13589879 0.72 TSHR (0.67) MAPK1TSHRALDH1A1GAACHRM3
SCHEMBL1913132 0.72 DRD2 (0.63) MAPK1TSHRSSTR1SSTR4EPHX2
SCHEMBL22919555 0.72 ATM (0.45) MAPK1CTSLCTSBCTSSCTSC
SCHEMBL29533173 0.72 ATM (0.45) MAPK1CTSLCTSBCTSSCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 — — EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 — — US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 — — 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 MAPK1 3538/4885TSHR 1199/4885CTSL 1016/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MAPK1 3538/4885TSHR 1199/4885CTSL 1016/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MAPK1 3538/4885TSHR 1199/4885CTSL 1016/4885

“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.