SCHEMBL763180

SCHEMBL763180

CCc1ccc2c(c1)CCC(=O)N2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.52
TMEM97 Q5BJF2 1/20 0.51
CYP11B2 P19099 11/20 0.49
CYP11B1 P15538 10/20 0.49
CYP1A2 P05177 2/20 0.49
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
ATAD2 Q6PL18 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TRIM24 O15164 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL764049 0.87 HTR1A (0.46) SRD5A1TMEM97CYP11B2CYP11B1CYP1A2
SCHEMBL20971275 0.85 TMEM97 (0.50) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5535621 0.85 TMEM97 (0.50) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL12297707 0.85 POLB (0.48) SRD5A1TRIM24ALDH1A1GAA
SCHEMBL5544502 0.83 TMEM97 (0.48) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL14518823 0.83 TMEM97 (0.51) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL29913714 0.80 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5546408 0.80 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL28921765 0.80 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5543930 0.79 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 SRD5A1 2733/4885TMEM97 2121/4885CYP11B2 1337/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SRD5A1 2733/4885TMEM97 2121/4885CYP11B2 1337/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ SRD5A1 3501/4885TMEM97 1761/4885CYP11B2 1206/4885

“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.