SCHEMBL4905385

SCHEMBL4905385

CC(=O)[C@H]1C[C@@H](CC(=O)O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
CD81 P60033 1/20 0.35
SLC6A12 P48065 5/20 0.34
SLC6A11 P48066 5/20 0.34
SLC6A13 Q9NSD5 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL16152426 1.00 GRM2 (0.38) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL611079 1.00 GRM2 (0.38) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL4905394 1.00 GRM2 (0.38) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL6560389 1.00 GRM2 (0.38) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL18723739 1.00 GRM2 (0.38) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL6152852 0.86 GRM2 (0.39) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL13851453 0.86 GRM2 (0.39) GRM2GRM5GRM1CD81SLC6A12
SCHEMBL13333996 0.82 CD81 (0.31) CD81
SCHEMBL2818518 0.79 ATM (0.35)
SCHEMBL17317455 0.79 ATM (0.48) GRM2GRM5GRM1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20120135352-A1 Preparation of Norbornane-based PAC Ballasts PROMERUS LLC (US) 2012-05-31 US disclosed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US disclosed
EP-1322619-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-23 EP disclosed
US-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use DEVELOPMENT PARTNERS, LLC 2005-01-06 US disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed
US-6664277-B1 O-dichlorophenyl-pyridinyl-pyrazolyl-amido derivatives; geranylgeranyl-protein transferase inhibitors PPD DISCOVERY, INC. 2003-12-16 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-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use RCE1, GGPS1, FNTA GRM2 4428/4885GRM5 4278/4885GRM1 4490/4885
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 GRM2 4754/4885GRM5 4375/4885GRM1 4573/4885
US-20120135352-A1 Preparation of Norbornane-based PAC Ballasts NBAS, PHB2, BDNF GRM2 371/4885GRM5 1117/4885GRM1 312/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA GRM2 4428/4885GRM5 4278/4885GRM1 4490/4885

“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.