SCHEMBL360841

SCHEMBL360841

Cc1oc(-c2ccccc2)cc1NC(=O)N[C@@H]1CCN(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LIPG Q9Y5X9 1/20 0.43
SSTR1 P30872 1/20 0.43
SSTR4 P31391 1/20 0.43
CHEK1 O14757 1/20 0.42
MAPK1 P28482 4/20 0.42
EPHX2 P34913 1/20 0.42
CHRM3 P20309 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSC P53634 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 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
SCHEMBL1911299 0.77 MAPK1 (0.44) TSHRSSTR1SSTR4CHEK1MAPK1
SCHEMBL356730 0.77 CTSL (0.65) TSHREPHX2CTSLCTSBCTSS
SCHEMBL1911307 0.74 MAPT (0.53) CHEK1MAPK1CTSLCTSBCTSS
SCHEMBL14392368 0.73 RECQL (0.54) SSTR1SSTR4EPHX2KDM4EGAA
SCHEMBL1911204 0.73 RECQL (0.54) SSTR1SSTR4EPHX2KDM4EGAA
SCHEMBL13589879 0.72 TSHR (0.67) TSHRMAPK1EPHX2CHRM3ALDH1A1
SCHEMBL14392144 0.72 SLC9A1 (0.52) ALDH1A1KDM4E
SCHEMBL1913132 0.70 DRD2 (0.63) TSHRSSTR1SSTR4MAPK1EPHX2
SCHEMBL357891 0.70 EPHX2 (0.67) EPHX2CTSLCTSBCTSSCTSC
SCHEMBL1911203 0.70 EPHX2 (0.67) EPHX2CTSLCTSBCTSSCTSC

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 12 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
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP 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 TSHR 1199/4885LIPG 4430/4885SSTR1 256/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885LIPG 4430/4885SSTR1 256/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885LIPG 4430/4885SSTR1 256/4885

“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.