SCHEMBL12847643

SCHEMBL12847643

CCN1C[C@@]2(CCNC2)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
AKT1 P31749 1/20 0.41
HTR2C P28335 7/20 0.40
HTR2A P28223 5/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2B P41595 4/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
XIAP P98170 3/20 0.32
BIRC2 Q13490 3/20 0.32
HTR6 P50406 1/20 0.31
KCNK2 O95069 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL12847767 1.00 NOTUM (0.42) NOTUMAKT1HTR2CHTR2AHDAC1
SCHEMBL12847355 0.92 AKT1 (0.47) NOTUMAKT1HTR2CHTR2AHDAC1
SCHEMBL17771699 0.83 NOTUM (0.46) NOTUMAKT1HTR2CHTR2AHTR2B
SCHEMBL17771690 0.83 NOTUM (0.46) NOTUMAKT1HTR2CHTR2AHTR2B
SCHEMBL4262376 0.81 HDAC1 (0.38) NOTUMAKT1HTR2CHTR2AHDAC1
SCHEMBL3666216 0.79 NOTUM (0.42) NOTUMAKT1HTR2CHTR2AHTR2B
SCHEMBL12790852 0.79 NOTUM (0.42) NOTUMAKT1HTR2CHTR2AHTR2B
SCHEMBL12847641 0.78 NOTUM (0.47) NOTUMHTR2CHTR2AHDAC1HDAC6
SCHEMBL12847311 0.77 NOTUM (0.43) NOTUMHDAC1HDAC6SLC6A3KCNK2
SCHEMBL12847765 0.77 GRIA2 (0.37) AKT1HTR2CHDAC1HDAC6HTR2B

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-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 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 (2 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA NOTUM 2711/4885AKT1 1/4885HTR2C 2734/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 NOTUM 2603/4885AKT1 2/4885HTR2C 2325/4885

“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.