SCHEMBL20148794

SCHEMBL20148794

CC(C)C1C(=O)Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.56
ANPEP P15144 6/20 0.53
PRCP P42785 1/20 0.41
HRH1 P35367 5/20 0.38
HTR2C P28335 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8716246 0.83 PRCP (0.47) HTR2AANPEPPRCPHRH1HTR2C
SCHEMBL11732915 0.82 HTR2A (0.50) HTR2AANPEPHDAC4HDAC7HDAC5
SCHEMBL15035238 0.78 ACHE (0.46) HTR2AANPEPHTR2C
SCHEMBL23605201 0.75 PRCP (0.55) HTR2APRCPHRH1HTR2C
SCHEMBL26815155 0.74 ANPEP (0.50) HTR2AANPEPPRCPHRH1HTR2C
SCHEMBL30633009 0.74 ANPEP (0.59) HTR2AANPEPHRH1HTR2CHDAC4
SCHEMBL2187484 0.74 ANPEP (0.59) HTR2AANPEPHRH1HTR2CHDAC4
SCHEMBL24119535 0.73 HTR2A (0.44) HTR2AANPEPPRCPHRH1HTR2C
SCHEMBL7385236 0.73 ANPEP (0.41) HTR2AANPEPHDAC4HDAC7HDAC5
SCHEMBL17070963 0.72 ANPEP (0.57) HTR2AANPEPHRH1HTR2CHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (4 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 HTR2A 2991/4885ANPEP 3936/4885PRCP 2942/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN HTR2A 4866/4885ANPEP 463/4885PRCP 250/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885ANPEP 463/4885PRCP 250/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885ANPEP 463/4885PRCP 250/4885

“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.