SCHEMBL2608951

SCHEMBL2608951

Cc1ccc2[nH]cc(CCNC(=O)C(C)C)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.77
MTNR1A P48039 4/20 0.76
MTNR1B P49286 4/20 0.76
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
GFER P55789 1/20 0.63
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
GAA P10253 1/20 0.60
PTGS2 P35354 3/20 0.59
PTGS1 P23219 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NOTUM Q6P988 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
IDO1 P14902 1/20 0.57

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
SCHEMBL12720784 0.87 SPR (1.00) SPRMAPTALDH1A1HPGDPTGS2
SCHEMBL1130185 0.87 MTNR1A (0.68) SPRMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL31543697 0.86 MTNR1A (1.00) SPRMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL1771902 0.86 MTNR1A (1.00) SPRMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL28872563 0.84 MTNR1A (0.76) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL17211923 0.84 MTNR1A (0.76) SPRMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL1771890 0.84 MTNR1A (0.80) SPRMTNR1AMTNR1BMAPTPOLB
SCHEMBL1129747 0.83 MTNR1A (0.63) SPRMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL761706 0.82 MEN1 (0.75) SPRMTNR1AMAPTPOLBGFER
SCHEMBL12720723 0.82 SPR (0.69) SPRMTNR1AMTNR1BPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E SPR 588/4885MTNR1A 908/4885MTNR1B 696/4885

“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.