SCHEMBL4889652

SCHEMBL4889652

CCOC(=O)c1cc2ncn(CCC(C)(C)N)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
GABRA1 P14867 7/20 0.39
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA5 P31644 7/20 0.39
GABRA3 P34903 7/20 0.39
GABRA2 P47869 7/20 0.39
GABRA4 P48169 7/20 0.39
GABRA6 Q16445 7/20 0.39
GABRP O00591 6/20 0.39
GABRD O14764 6/20 0.39
GABRB1 P18505 6/20 0.39
GABRB2 P47870 6/20 0.39
GABRE P78334 6/20 0.39
GABRG1 Q8N1C3 6/20 0.39
GABRG3 Q99928 6/20 0.39
GABRQ Q9UN88 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4893401 0.91 CNR2 (0.39) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4887298 0.82 ALDH1A1 (0.39) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4775013 0.82 ALDH1A1 (0.38) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL4913399 0.82 NPC1 (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4916141 0.81 NPC1 (0.48) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL4915876 0.80 CA1 (0.42) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL4886489 0.78 CYP1A2 (0.43) GABRA2GABRB2ALDH1A1MAPTNPC1
SCHEMBL14532274 0.77 CNR2 (0.35) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4640769 0.76 CA2 (0.44) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL4826368 0.76 ALDH1A1 (0.38) GABRG2GABRB3GABRA5ALDH1A1MAPT

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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 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 (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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 CNR2 123/4885GABRA1 65/4885GABRG2 103/4885

“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.